S-pent-4-ynyl 2-prop-2-enylbenzenecarbothioate

Systemtic Name: S-pent-4-ynyl 2-prop-2-enylbenzenecarbothioate Openeye Name: S-pent-4-ynyl 2-allylbenzenecarbothioate CAS Name: 2-prop-2-enylbenzenecarbothioic acid S-pent-4-ynyl ester IUPAC Name: S-pent-4-ynyl 2-prop-2-enylbenzenecarbothioate Traditional Name: 2-allylthiobenzoic acid S-pent-4-ynyl ester Formula: C15H16OS MolecularWeight: 244.35194

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC=CC=C1C(=O)SCCCC#C

Isomeric SMILES

C=CCC1=CC=CC=C1C(=O)SCCCC#C

InChI

InChI=1S/C15H16OS/c1-3-5-8-12-17-15(16)14-11-7-6-10-13(14)9-4-2/h1,4,6-7,10-11H,2,5,8-9,12H2