1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea

Systemtic Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Openeye Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea CAS Name: 1-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-(3-nitrophenyl)thiourea IUPAC Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Traditional Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)thiourea Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=S)NC3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H19N5O2S/c29-28(30)21-13-7-10-19(14-21)25-23(31)24-15-18-16-27(20-11-5-2-6-12-20)26-22(18)17-8-3-1-4-9-17/h1-14,16H,15H2,(H2,24,25,31)