3-[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)propanamide

Systemtic Name: 3-[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)propanamide Openeye Name: 3-[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(o-tolyl)propanamide CAS Name: 3-[5-[(2-anilino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)propanamide IUPAC Name: 3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)propanamide Traditional Name: 3-[5-[(2-anilino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(o-tolyl)propionamide Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N5O2S/c1-15-8-6-7-11-17(15)23-19(27)13-12-18-24-25-21(26(18)2)29-14-20(28)22-16-9-4-3-5-10-16/h3-11H,12-14H2,1-2H3,(H,22,28)(H,23,27)