N-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide

Systemtic Name: N-[[5-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Openeye Name: N-[[5-(2-amino-2-oxo-ethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide CAS Name: N-[[5-[(2-amino-2-oxoethyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide IUPAC Name: N-[[5-(2-amino-2-oxoethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide Traditional Name: N-[[5-[(2-amino-2-keto-ethyl)thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C19H19N5O2S/c1-13-6-5-7-14(10-13)18(26)21-11-17-22-23-19(27-12-16(20)25)24(17)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3,(H2,20,25)(H,21,26)