1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-(4-benzyl-1,4-diazepan-1-yl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C20H23N5OS2 MolecularWeight: 413.55952

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C(=NNC2=S)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C(=NNC2=S)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS2/c26-18(15-25-19(21-22-20(25)27)17-8-4-13-28-17)24-10-5-9-23(11-12-24)14-16-6-2-1-3-7-16/h1-4,6-8,13H,5,9-12,14-15H2,(H,22,27)