1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-4-pyrazolyl]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)pyrazol-4-yl]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C18H16ClN5O3S MolecularWeight: 417.86934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN5O3S/c1-27-17-8-15(24(25)26)6-7-16(17)22-18(28)21-14-9-20-23(11-14)10-12-2-4-13(19)5-3-12/h2-9,11H,10H2,1H3,(H2,21,22,28)