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

Systemtic Name: 2-[5-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-3-nitro-1,2,4-triazol-1-yl]ethanamide Openeye Name: 2-[5-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-nitro-1,2,4-triazol-1-yl]acetamide CAS Name: 2-[5-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]thio]-3-nitro-1,2,4-triazol-1-yl]acetamide IUPAC Name: 2-[5-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-3-nitro-1,2,4-triazol-1-yl]acetamide Traditional Name: 2-[5-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]thio]-3-nitro-1,2,4-triazol-1-yl]acetamide Formula: C13H13N9O3S MolecularWeight: 375.36582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)SC3=NC(=NN3CC(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)SC3=NC(=NN3CC(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C13H13N9O3S/c1-7-3-4-9(5-8(7)2)21-13(16-18-19-21)26-12-15-11(22(24)25)17-20(12)6-10(14)23/h3-5H,6H2,1-2H3,(H2,14,23)