N-(7-chloranyl-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonyl-benzamide

Systemtic Name: N-(7-chloranyl-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonyl-benzamide Openeye Name: N-(7-chloro-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonyl-benzamide CAS Name: N-(7-chloro-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide IUPAC Name: N-(7-chloro-4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylsulfonylbenzamide Traditional Name: N-(7-chloro-4-methyl-3-propargyl-1,3-benzothiazol-2-ylidene)-4-mesyl-benzamide Formula: C19H15ClN2O3S2 MolecularWeight: 418.917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)N2CC#C

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)N2CC#C

InChI

InChI=1S/C19H15ClN2O3S2/c1-4-11-22-16-12(2)5-10-15(20)17(16)26-19(22)21-18(23)13-6-8-14(9-7-13)27(3,24)25/h1,5-10H,11H2,2-3H3