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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2,4,6-trimethylphenyl)benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2,4,6-trimethylphenyl)benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-(2,4,6-trimethylphenyl)benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-(2,4,6-trimethylphenyl)benzamide Traditional Name: N-mesityl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O3S/c1-11-7-12(2)17(13(3)8-11)21-18(25)14-5-6-16(15(9-14)24(26)27)28-19-22-20-10-23(19)4/h5-10H,1-4H3,(H,21,25)