(1,3-diphenylpyrazol-4-yl)methyl carbamimidothioate hydrochloride

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(1,3-diphenylpyrazol-4-yl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (1,3-diphenyl-4-pyrazolyl)methyl ester hydrochloride IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl carbamimidothioate hydrochloride Traditional Name: 2-[(1,3-diphenylpyrazol-4-yl)methyl]isothiourea hydrochloride Formula: C17H17ClN4S MolecularWeight: 344.86168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CSC(=N)N)C3=CC=CC=C3.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CSC(=N)N)C3=CC=CC=C3.Cl

InChI

InChI=1S/C17H16N4S.ClH/c18-17(19)22-12-14-11-21(15-9-5-2-6-10-15)20-16(14)13-7-3-1-4-8-13;/h1-11H,12H2,(H3,18,19);1H