S-(3,4-dihydroisoquinolin-1-yl) 4-chloranylbenzenecarbothioate

Systemtic Name: S-(3,4-dihydroisoquinolin-1-yl) 4-chloranylbenzenecarbothioate Openeye Name: S-(3,4-dihydroisoquinolin-1-yl) 4-chlorobenzenecarbothioate CAS Name: 4-chlorobenzenecarbothioic acid S-(3,4-dihydroisoquinolin-1-yl) ester IUPAC Name: S-(3,4-dihydroisoquinolin-1-yl) 4-chlorobenzenecarbothioate Traditional Name: 4-chlorothiobenzoic acid S-(3,4-dihydroisoquinolin-1-yl) ester Formula: C16H12ClNOS MolecularWeight: 301.79058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(C2=CC=CC=C21)SC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN=C(C2=CC=CC=C21)SC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClNOS/c17-13-7-5-12(6-8-13)16(19)20-15-14-4-2-1-3-11(14)9-10-18-15/h1-8H,9-10H2