(E)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-(p-tolyl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzothiazol-2-ylthio)-1-(4-methylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-methylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzothiazol-2-ylthio)-1-(p-tolyl)prop-2-en-1-one Formula: C17H13NOS2 MolecularWeight: 311.42122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H13NOS2/c1-12-6-8-13(9-7-12)15(19)10-11-20-17-18-14-4-2-3-5-16(14)21-17/h2-11H,1H3/b11-10+