N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-5-methyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-5-methyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-5-methyl-2-phenyltriazole-4-carboxamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-5-methyl-2-phenyl-triazole-4-carboxamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)NC2=CC=CC=C2SCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)NC2=CC=CC=C2SCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2S/c1-12-17(22-23(21-12)13-7-3-2-4-8-13)18(25)20-14-9-5-6-10-15(14)26-11-16(19)24/h2-10H,11H2,1H3,(H2,19,24)(H,20,25)