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

Systemtic Name: N-(3-chlorophenyl)-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-chlorophenyl)propanamide CAS Name: 3-[5-[(2-anilino-2-oxoethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(3-chlorophenyl)propanamide IUPAC Name: 3-[5-(2-anilino-2-oxoethyl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-(3-chlorophenyl)propanamide Traditional Name: 3-[5-[(2-anilino-2-keto-ethyl)thio]-4-methyl-1,2,4-triazol-3-yl]-N-(3-chlorophenyl)propionamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2)CCC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H20ClN5O2S/c1-26-17(10-11-18(27)23-16-9-5-6-14(21)12-16)24-25-20(26)29-13-19(28)22-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,22,28)(H,23,27)