N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide CAS Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylthio)propanamide IUPAC Name: N-(6-methylsulfonyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide Traditional Name: N-(6-mesyl-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(phenylthio)propionamide Formula: C20H18N2O3S3 MolecularWeight: 430.56352

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C20H18N2O3S3/c1-3-12-22-17-10-9-16(28(2,24)25)14-18(17)27-20(22)21-19(23)11-13-26-15-7-5-4-6-8-15/h1,4-10,14H,11-13H2,2H3