[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate hydrochloride

Systemtic Name: [3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyl carbamimidothioate hydrochloride Openeye Name: 2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid [3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]methyl ester hydrochloride IUPAC Name: [3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]methyl carbamimidothioate hydrochloride Traditional Name: 2-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]methyl]isothiourea hydrochloride Formula: C17H16ClN5O2S MolecularWeight: 389.85924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])CSC(=N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])CSC(=N)N.Cl

InChI

InChI=1S/C17H15N5O2S.ClH/c18-17(19)25-11-13-10-21(14-6-2-1-3-7-14)20-16(13)12-5-4-8-15(9-12)22(23)24;/h1-10H,11H2,(H3,18,19);1H