S-(4-cyanophenyl) 2-prop-2-enylbenzenecarbothioate

Systemtic Name: S-(4-cyanophenyl) 2-prop-2-enylbenzenecarbothioate Openeye Name: S-(4-cyanophenyl) 2-allylbenzenecarbothioate CAS Name: 2-prop-2-enylbenzenecarbothioic acid S-(4-cyanophenyl) ester IUPAC Name: S-(4-cyanophenyl) 2-prop-2-enylbenzenecarbothioate Traditional Name: 2-allylthiobenzoic acid S-(4-cyanophenyl) ester Formula: C17H13NOS MolecularWeight: 279.35622

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1C(=O)SC2=CC=C(C=C2)C#N

Isomeric SMILES

C=CCC1=CC=CC=C1C(=O)SC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H13NOS/c1-2-5-14-6-3-4-7-16(14)17(19)20-15-10-8-13(12-18)9-11-15/h2-4,6-11H,1,5H2