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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-[4-methyl-5-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-(2-anilino-2-oxo-ethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methyl-phenyl)propanamide CAS Name: 3-[5-[(2-anilino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methylphenyl)propanamide IUPAC Name: 3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methylphenyl)propanamide Traditional Name: 3-[5-[(2-anilino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methyl-phenyl)propionamide Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3)Cl

InChI

InChI=1S/C21H22ClN5O2S/c1-14-8-9-16(12-17(14)22)24-19(28)11-10-18-25-26-21(27(18)2)30-13-20(29)23-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,23,29)(H,24,28)