N-(2-chloranyl-4,6-dimethyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H16ClN5O3S MolecularWeight: 417.86934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-])C

InChI

InChI=1S/C18H16ClN5O3S/c1-10-6-11(2)16(13(19)7-10)21-17(25)12-4-5-15(14(8-12)24(26)27)28-18-22-20-9-23(18)3/h4-9H,1-3H3,(H,21,25)