1-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-[(3,4-dichlorophenyl)methyl]-4-pyrazolyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-(3,4-dichlorobenzyl)pyrazol-4-yl]-3-(4-nitrophenyl)thiourea Formula: C17H13Cl2N5O2S MolecularWeight: 422.28842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=CN(N=C2)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=CN(N=C2)CC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H13Cl2N5O2S/c18-15-6-1-11(7-16(15)19)9-23-10-13(8-20-23)22-17(27)21-12-2-4-14(5-3-12)24(25)26/h1-8,10H,9H2,(H2,21,22,27)