1-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-(3-nitrophenyl)-3-[1-(o-tolylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-[1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[1-(2-methylbenzyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O2S/c1-13-5-2-3-6-14(13)11-22-12-16(10-19-22)21-18(26)20-15-7-4-8-17(9-15)23(24)25/h2-10,12H,11H2,1H3,(H2,20,21,26)