1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]-4-pyrazolyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[3,5-dimethyl-1-(2-methylbenzyl)pyrazol-4-yl]-3-(3-nitrophenyl)thiourea Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O2S/c1-13-7-4-5-8-16(13)12-24-15(3)19(14(2)23-24)22-20(28)21-17-9-6-10-18(11-17)25(26)27/h4-11H,12H2,1-3H3,(H2,21,22,28)