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

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[1-(o-tolylmethyl)pyrazol-3-yl]thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[1-[(2-methylphenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-[1-(2-methylbenzyl)pyrazol-3-yl]thiourea Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC(=N2)NC(=S)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N5O3S/c1-13-5-3-4-6-14(13)12-23-10-9-18(22-23)21-19(28)20-16-8-7-15(24(25)26)11-17(16)27-2/h3-11H,12H2,1-2H3,(H2,20,21,22,28)