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

Systemtic Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(1-methyl-5-tetrazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-(1-methyltetrazol-5-yl)sulfanyl-3-nitrobenzamide Traditional Name: N-(2-methyl-1,3-benzothiazol-6-yl)-4-[(1-methyltetrazol-5-yl)thio]-3-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=CC(=C(C=C3)SC4=NN=NN4C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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