2-(4-methylphenyl)sulfanyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(p-tolylsulfanyl)acetamide CAS Name: 2-[(4-methylphenyl)thio]-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-(4-methylphenyl)sulfanyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-2-(p-tolylthio)acetamide Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C19H15N3O3S2/c1-3-10-21-16-11-14(22(24)25)6-9-17(16)27-19(21)20-18(23)12-26-15-7-4-13(2)5-8-15/h1,4-9,11H,10,12H2,2H3