1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-3-(4-nitrophenyl)thiourea Formula: C18H16ClN5O2S MolecularWeight: 401.86994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Cl)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN5O2S/c1-12-10-17(22-23(12)11-13-2-4-14(19)5-3-13)21-18(27)20-15-6-8-16(9-7-15)24(25)26/h2-10H,11H2,1H3,(H2,20,21,22,27)