1-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(diphenylmethyl)thiourea

Systemtic Name: 1-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(diphenylmethyl)thiourea Openeye Name: 1-benzhydryl-3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]thiourea CAS Name: 1-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]-3-(diphenylmethyl)thiourea IUPAC Name: 1-benzhydryl-3-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-benzhydryl-3-[1-(3-cyanobenzyl)pyrazol-4-yl]thiourea Formula: C25H21N5S MolecularWeight: 423.53274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)NC3=CN(N=C3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H21N5S/c26-15-19-8-7-9-20(14-19)17-30-18-23(16-27-30)28-25(31)29-24(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-14,16,18,24H,17H2,(H2,28,29,31)