1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-(4-sulfamoylphenyl)thiourea

Systemtic Name: 1-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]-3-(4-sulfamoylphenyl)thiourea Openeye Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(4-sulfamoylphenyl)thiourea CAS Name: 1-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]-3-(4-sulfamoylphenyl)thiourea IUPAC Name: 1-(1-benzyl-4-chloropyrazol-3-yl)-3-(4-sulfamoylphenyl)thiourea Traditional Name: 1-(1-benzyl-4-chloro-pyrazol-3-yl)-3-(4-sulfamoylphenyl)thiourea Formula: C17H16ClN5O2S2 MolecularWeight: 421.92424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C17H16ClN5O2S2/c18-15-11-23(10-12-4-2-1-3-5-12)22-16(15)21-17(26)20-13-6-8-14(9-7-13)27(19,24)25/h1-9,11H,10H2,(H2,19,24,25)(H2,20,21,22,26)