2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-2-prop-2-enyl-pent-4-en-1-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-2-prop-2-enyl-pent-4-en-1-one Openeye Name: 2-allyl-2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-pent-4-en-1-one CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-phenyl-2-prop-2-enyl-4-penten-1-one IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-phenyl-2-prop-2-enylpent-4-en-1-one Traditional Name: 2-allyl-2-(1,3-benzothiazol-2-ylthio)-1-phenyl-pent-4-en-1-one Formula: C21H19NOS2 MolecularWeight: 365.51166

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(C(=O)C1=CC=CC=C1)SC2=NC3=CC=CC=C3S2

Isomeric SMILES

C=CCC(CC=C)(C(=O)C1=CC=CC=C1)SC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H19NOS2/c1-3-14-21(15-4-2,19(23)16-10-6-5-7-11-16)25-20-22-17-12-8-9-13-18(17)24-20/h3-13H,1-2,14-15H2