N-(2-ethyl-6-methyl-phenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C)C

InChI

InChI=1S/C18H18N6O3S/c1-4-12-7-5-6-11(2)16(12)19-17(25)14-10-13(24(26)27)8-9-15(14)28-18-20-21-22-23(18)3/h5-10H,4H2,1-3H3,(H,19,25)