1-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-[4-(4-methoxybenzoyl)-3-methyl-piperazin-1-yl]-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[(4-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-[4-(4-methoxybenzoyl)-3-methylpiperazin-1-yl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(3-methyl-4-p-anisoyl-piperazino)-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C29H31N5O3S2 MolecularWeight: 561.71814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C29H31N5O3S2/c1-21-20-32(16-17-33(21)28(36)22-12-14-24(37-2)15-13-22)26(35)11-7-19-39-29-31-30-27(25-10-6-18-38-25)34(29)23-8-4-3-5-9-23/h3-6,8-10,12-15,18,21H,7,11,16-17,19-20H2,1-2H3