S-(4-cyanophenyl) 2-but-3-enylbenzenecarbothioate

Systemtic Name: S-(4-cyanophenyl) 2-but-3-enylbenzenecarbothioate Openeye Name: S-(4-cyanophenyl) 2-but-3-enylbenzenecarbothioate CAS Name: 2-but-3-enylbenzenecarbothioic acid S-(4-cyanophenyl) ester IUPAC Name: S-(4-cyanophenyl) 2-but-3-enylbenzenecarbothioate Traditional Name: 2-but-3-enylthiobenzoic acid S-(4-cyanophenyl) ester Formula: C18H15NOS MolecularWeight: 293.3828

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC1=CC=CC=C1C(=O)SC2=CC=C(C=C2)C#N

Isomeric SMILES

C=CCCC1=CC=CC=C1C(=O)SC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H15NOS/c1-2-3-6-15-7-4-5-8-17(15)18(20)21-16-11-9-14(13-19)10-12-16/h2,4-5,7-12H,1,3,6H2