(3-oxidanylidene-3-phenyl-propyl) N-(5-chloranylpyridin-2-yl)carbamodithioate

Systemtic Name: (3-oxidanylidene-3-phenyl-propyl) N-(5-chloranylpyridin-2-yl)carbamodithioate Openeye Name: (3-oxo-3-phenyl-propyl) N-(5-chloro-2-pyridyl)carbamodithioate CAS Name: N-(5-chloro-2-pyridinyl)carbamodithioic acid (3-oxo-3-phenylpropyl) ester IUPAC Name: (3-oxo-3-phenylpropyl) N-(5-chloropyridin-2-yl)carbamodithioate Traditional Name: N-(5-chloro-2-pyridyl)carbamodithioic acid (3-keto-3-phenyl-propyl) ester Formula: C15H13ClN2OS2 MolecularWeight: 336.85952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCSC(=S)NC2=NC=C(C=C2)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCSC(=S)NC2=NC=C(C=C2)Cl

InChI

InChI=1S/C15H13ClN2OS2/c16-12-6-7-14(17-10-12)18-15(20)21-9-8-13(19)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,18,20)