N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-5-nitro-benzamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitro-benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(1-methyl-5-tetrazolyl)thio]-5-nitrobenzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-(1-methyltetrazol-5-yl)sulfanyl-5-nitrobenzamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-2-[(1-methyltetrazol-5-yl)thio]-5-nitro-benzamide Formula: C17H13N7O3S2 MolecularWeight: 427.46022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NN=NN4C

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NN=NN4C

InChI

InChI=1S/C17H13N7O3S2/c1-9-18-13-5-3-10(7-15(13)28-9)19-16(25)12-8-11(24(26)27)4-6-14(12)29-17-20-21-22-23(17)2/h3-8H,1-2H3,(H,19,25)