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

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-N-quinolin-5-yl-benzamide Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-N-(5-quinolyl)benzamide CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-5-nitro-N-(5-quinolinyl)benzamide IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-N-quinolin-5-ylbenzamide Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-5-nitro-N-(5-quinolyl)benzamide Formula: C18H13N7O3S MolecularWeight: 407.40592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CN1C(=NN=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C18H13N7O3S/c1-24-18(21-22-23-24)29-16-8-7-11(25(27)28)10-13(16)17(26)20-15-6-2-5-14-12(15)4-3-9-19-14/h2-10H,1H3,(H,20,26)