1-[4-(2-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-(2-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-(2-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-[(2-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-(2-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-o-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=CC=C2OC)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC=C2OC)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)23-12-6-7-13-24(23)37-2)26(35)15-9-19-39-29-31-30-27(25-14-8-18-38-25)34(29)22-10-4-3-5-11-22/h3-8,10-14,18,21H,9,15-17,19-20H2,1-2H3