N-(3,5-dimethylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(3,5-dimethylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(3,5-dimethylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(3,5-dimethylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3,5-dimethylphenyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3S/c1-11-6-12(2)8-14(7-11)20-17(24)13-4-5-16(15(9-13)23(25)26)27-18-21-19-10-22(18)3/h4-10H,1-3H3,(H,20,24)