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

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-acetamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-[(1-phenyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-2-[(1-phenyltetrazol-5-yl)thio]acetamide Formula: C16H14N6O3S MolecularWeight: 370.38576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N6O3S/c1-11-7-8-13(14(9-11)22(24)25)17-15(23)10-26-16-18-19-20-21(16)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,23)