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

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C21H14N6O3S2 MolecularWeight: 462.50426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C21H14N6O3S2/c1-26-11-22-25-21(26)32-16-8-7-13(10-15(16)27(29)30)19(28)24-20-23-18-14-5-3-2-4-12(14)6-9-17(18)31-20/h2-11H,1H3,(H,23,24,28)