2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide

Systemtic Name: 2-[[1-(2,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(4-nitrophenyl)ethanamide Openeye Name: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide CAS Name: 2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-N-(4-nitrophenyl)acetamide IUPAC Name: 2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(4-nitrophenyl)acetamide Traditional Name: 2-[[1-(2,4-dimethylphenyl)tetrazol-5-yl]thio]-N-(4-nitrophenyl)acetamide Formula: C17H16N6O3S MolecularWeight: 384.41234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N6O3S/c1-11-3-8-15(12(2)9-11)22-17(19-20-21-22)27-10-16(24)18-13-4-6-14(7-5-13)23(25)26/h3-9H,10H2,1-2H3,(H,18,24)