N-[[methyl(pyrrolidin-1-yl)amino]methyl]-4-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide

Systemtic Name: N-[[methyl(pyrrolidin-1-yl)amino]methyl]-4-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Openeye Name: N-[[methyl(pyrrolidin-1-yl)amino]methyl]-4-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzamide CAS Name: N-[[methyl(1-pyrrolidinyl)amino]methyl]-4-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide IUPAC Name: N-[[methyl(pyrrolidin-1-yl)amino]methyl]-4-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzamide Traditional Name: N-[[methyl(pyrrolidino)amino]methyl]-4-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)benzamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CN(CNC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CN(CNC(=O)C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C21H24N6OS/c1-25(26-13-5-6-14-26)15-22-20(28)17-9-11-18(12-10-17)27-19(23-24-21(27)29)16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-15H2,1H3,(H,22,28)(H,24,29)