(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium

Systemtic Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Openeye Name: (3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium CAS Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]ammonium IUPAC Name: (3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium Traditional Name: (3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-[4-(methylcarbamoyl)benzyl]ammonium Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3CC3)C

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[NH+](C)CN2C(=S)N(C(=N2)C3CC3)C

InChI

InChI=1S/C17H23N5OS/c1-18-16(23)14-6-4-12(5-7-14)10-20(2)11-22-17(24)21(3)15(19-22)13-8-9-13/h4-7,13H,8-11H2,1-3H3,(H,18,23)/p+1