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

Systemtic Name: N-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide Openeye Name: N-(4-methylthiazol-2-yl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzamide CAS Name: N-(4-methyl-2-thiazolyl)-5-nitro-2-[(1-phenyl-5-tetrazolyl)thio]benzamide IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzamide Traditional Name: N-(4-methylthiazol-2-yl)-5-nitro-2-[(1-phenyltetrazol-5-yl)thio]benzamide Formula: C18H13N7O3S2 MolecularWeight: 439.47092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C18H13N7O3S2/c1-11-10-29-17(19-11)20-16(26)14-9-13(25(27)28)7-8-15(14)30-18-21-22-23-24(18)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,26)