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

Systemtic Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-nitro-1,3-benzothiazol-2-yl)-2-[(1-phenyl-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)N2C=NC(=N2)SCC(=O)NC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=NC(=N2)SCC(=O)NC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

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