3-(7-chloranyl-1,3-benzodioxol-5-yl)-3-phenylsulfanyl-1-thiophen-2-yl-propan-1-one

Systemtic Name: 3-(7-chloranyl-1,3-benzodioxol-5-yl)-3-phenylsulfanyl-1-thiophen-2-yl-propan-1-one Openeye Name: 3-(7-chloro-1,3-benzodioxol-5-yl)-3-phenylsulfanyl-1-(2-thienyl)propan-1-one CAS Name: 3-(7-chloro-1,3-benzodioxol-5-yl)-3-(phenylthio)-1-thiophen-2-yl-1-propanone IUPAC Name: 3-(7-chloro-1,3-benzodioxol-5-yl)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-one Traditional Name: 3-(7-chloro-1,3-benzodioxol-5-yl)-3-(phenylthio)-1-(2-thienyl)propan-1-one Formula: C20H15ClO3S2 MolecularWeight: 402.9143

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)C(CC(=O)C3=CC=CS3)SC4=CC=CC=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)C(CC(=O)C3=CC=CS3)SC4=CC=CC=C4)Cl

InChI

InChI=1S/C20H15ClO3S2/c21-15-9-13(10-17-20(15)24-12-23-17)19(26-14-5-2-1-3-6-14)11-16(22)18-7-4-8-25-18/h1-10,19H,11-12H2