(1-phenyl-1,2,3,4-tetrazol-5-yl) N-(2-oxidanylidene-2-pyrrolidin-2-yl-ethyl)-N-propan-2-yl-carbamodithioate hydrochloride

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl) N-(2-oxidanylidene-2-pyrrolidin-2-yl-ethyl)-N-propan-2-yl-carbamodithioate hydrochloride Openeye Name: (1-phenyltetrazol-5-yl) N-isopropyl-N-(2-oxo-2-pyrrolidin-2-yl-ethyl)carbamodithioate hydrochloride CAS Name: N-[2-oxo-2-(2-pyrrolidinyl)ethyl]-N-propan-2-ylcarbamodithioic acid (1-phenyl-5-tetrazolyl) ester hydrochloride IUPAC Name: (1-phenyltetrazol-5-yl) N-(2-oxo-2-pyrrolidin-2-ylethyl)-N-propan-2-ylcarbamodithioate hydrochloride Traditional Name: N-isopropyl-N-(2-keto-2-pyrrolidin-2-yl-ethyl)carbamodithioic acid (1-phenyltetrazol-5-yl) ester hydrochloride Formula: C17H23ClN6OS2 MolecularWeight: 426.98712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)C1CCCN1)C(=S)SC2=NN=NN2C3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)N(CC(=O)C1CCCN1)C(=S)SC2=NN=NN2C3=CC=CC=C3.Cl

InChI

InChI=1S/C17H22N6OS2.ClH/c1-12(2)22(11-15(24)14-9-6-10-18-14)17(25)26-16-19-20-21-23(16)13-7-4-3-5-8-13;/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3;1H