1-[4-(4-butoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[4-(4-butoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[4-(4-butoxybenzoyl)-3-methyl-piperazin-1-yl]-2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-[(4-butoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(4-butoxybenzoyl)-3-methylpiperazin-1-yl]-2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[4-(4-butoxybenzoyl)-3-methyl-piperazino]-2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C34H39N5O5S MolecularWeight: 629.76896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC(=CC=C5)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2C)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC(=CC=C5)OC

InChI

InChI=1S/C34H39N5O5S/c1-5-6-20-44-29-14-10-25(11-15-29)33(41)38-19-18-37(22-24(38)2)31(40)23-45-34-36-35-32(26-8-7-9-30(21-26)43-4)39(34)27-12-16-28(42-3)17-13-27/h7-17,21,24H,5-6,18-20,22-23H2,1-4H3