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

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Openeye Name: 3-(4-methoxyphenyl)sulfanyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide CAS Name: 3-[(4-methoxyphenyl)thio]-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-N-(5-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)propanamide Traditional Name: 3-[(4-methoxyphenyl)thio]-N-(5-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)propionamide Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC#C

InChI

InChI=1S/C20H17N3O4S2/c1-3-11-22-17-13-14(23(25)26)4-9-18(17)29-20(22)21-19(24)10-12-28-16-7-5-15(27-2)6-8-16/h1,4-9,13H,10-12H2,2H3