[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]azanium

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl]-methyl-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]azanium Openeye Name: [4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(cyclopropylamino)-2-oxoethyl]-methyl-[[4-(phenylmethyl)-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl]methyl]ammonium IUPAC Name: (4-benzyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium Traditional Name: [4-benzyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-[2-(cyclopropylamino)-2-keto-ethyl]-methyl-ammonium Formula: C20H24N5OS2+ MolecularWeight: 414.56746

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](CC(=O)NC1CC1)CN2C(=S)N(C(=N2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS2/c1-23(13-18(26)21-16-9-10-16)14-25-20(27)24(12-15-6-3-2-4-7-15)19(22-25)17-8-5-11-28-17/h2-8,11,16H,9-10,12-14H2,1H3,(H,21,26)/p+1