2-[4-methyl-5-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-methyl-5-[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-methyl-5-[2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[4-methyl-5-[[2-(4-methyl-3-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[4-methyl-5-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[5-[[2-keto-2-(4-methyl-3-nitro-anilino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4S/c1-13-8-9-15(10-16(13)26(29)30)22-19(28)12-31-20-24-23-17(25(20)2)11-18(27)21-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,27)(H,22,28)