1-[(5-azanyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-(2,4-dichlorophenyl)thiourea

Systemtic Name: 1-[(5-azanyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-(2,4-dichlorophenyl)thiourea Openeye Name: 1-[(5-amino-1-phenyl-pyrazole-4-carbonyl)amino]-3-(2,4-dichlorophenyl)thiourea CAS Name: 1-[[(5-amino-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-3-(2,4-dichlorophenyl)thiourea IUPAC Name: 1-[(5-amino-1-phenylpyrazole-4-carbonyl)amino]-3-(2,4-dichlorophenyl)thiourea Traditional Name: 1-[(5-amino-1-phenyl-pyrazole-4-carbonyl)amino]-3-(2,4-dichlorophenyl)thiourea Formula: C17H14Cl2N6OS MolecularWeight: 421.30366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NNC(=S)NC3=C(C=C(C=C3)Cl)Cl)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NNC(=S)NC3=C(C=C(C=C3)Cl)Cl)N

InChI

InChI=1S/C17H14Cl2N6OS/c18-10-6-7-14(13(19)8-10)22-17(27)24-23-16(26)12-9-21-25(15(12)20)11-4-2-1-3-5-11/h1-9H,20H2,(H,23,26)(H2,22,24,27)