1-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea

Systemtic Name: 1-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-[1-(3-cyanobenzyl)pyrazol-4-yl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N5OS/c1-14-6-7-19(26-2)18(8-14)24-20(27)23-17-11-22-25(13-17)12-16-5-3-4-15(9-16)10-21/h3-9,11,13H,12H2,1-2H3,(H2,23,24,27)