1-(2-methoxy-4-nitro-phenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[1-(1-naphthylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[1-(1-naphthalenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-[1-(1-naphthylmethyl)pyrazol-4-yl]thiourea Formula: C22H19N5O3S MolecularWeight: 433.48296

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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=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NC2=CN(N=C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N5O3S/c1-30-21-11-18(27(28)29)9-10-20(21)25-22(31)24-17-12-23-26(14-17)13-16-7-4-6-15-5-2-3-8-19(15)16/h2-12,14H,13H2,1H3,(H2,24,25,31)