1-(4-butan-2-ylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[3-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[3-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-[3-(pyrazol-1-ylmethyl)phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)CN3C=CC=N3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)CN3C=CC=N3

InChI

InChI=1S/C21H24N4S/c1-3-16(2)18-8-10-19(11-9-18)23-21(26)24-20-7-4-6-17(14-20)15-25-13-5-12-22-25/h4-14,16H,3,15H2,1-2H3,(H2,23,24,26)