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

Systemtic Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H14N6O4S2 MolecularWeight: 442.47156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O4S2/c1-23-9-19-22-18(23)30-14-6-3-10(7-13(14)24(26)27)16(25)21-17-20-12-5-4-11(28-2)8-15(12)29-17/h3-9H,1-2H3,(H,20,21,25)