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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H14N6O3S2 MolecularWeight: 426.47216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N6O3S2/c1-23-10-20-22-18(23)29-15-7-6-11(8-13(15)24(26)27)17(25)19-9-16-21-12-4-2-3-5-14(12)28-16/h2-8,10H,9H2,1H3,(H,19,25)