N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H12N6O3S2 MolecularWeight: 412.44558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O3S2/c24-14(9-27-17-20-15(21-22-17)10-4-2-1-3-5-10)19-16-18-12-8-11(23(25)26)6-7-13(12)28-16/h1-8H,9H2,(H,18,19,24)(H,20,21,22)