[3-(3-methylphenyl)-3-oxidanyl-propyl] N-(5-chloranylpyridin-2-yl)carbamodithioate

Systemtic Name: [3-(3-methylphenyl)-3-oxidanyl-propyl] N-(5-chloranylpyridin-2-yl)carbamodithioate Openeye Name: [3-hydroxy-3-(m-tolyl)propyl] N-(5-chloro-2-pyridyl)carbamodithioate CAS Name: N-(5-chloro-2-pyridinyl)carbamodithioic acid [3-hydroxy-3-(3-methylphenyl)propyl] ester IUPAC Name: [3-hydroxy-3-(3-methylphenyl)propyl] N-(5-chloropyridin-2-yl)carbamodithioate Traditional Name: N-(5-chloro-2-pyridyl)carbamodithioic acid [3-hydroxy-3-(m-tolyl)propyl] ester Formula: C16H17ClN2OS2 MolecularWeight: 352.90198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CCSC(=S)NC2=NC=C(C=C2)Cl)O

Isomeric SMILES

CC1=CC(=CC=C1)C(CCSC(=S)NC2=NC=C(C=C2)Cl)O

InChI

InChI=1S/C16H17ClN2OS2/c1-11-3-2-4-12(9-11)14(20)7-8-22-16(21)19-15-6-5-13(17)10-18-15/h2-6,9-10,14,20H,7-8H2,1H3,(H,18,19,21)