1-[4-(diphenylmethyl)piperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C26H27N5OS2 MolecularWeight: 489.65548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCN4C(=NNC4=S)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CCN4C(=NNC4=S)C5=CC=CS5

InChI

InChI=1S/C26H27N5OS2/c32-23(13-14-31-25(27-28-26(31)33)22-12-7-19-34-22)29-15-17-30(18-16-29)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-12,19,24H,13-18H2,(H,28,33)