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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea Openeye Name: 1-[4-(pyrazol-1-ylmethyl)phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[4-(1-pyrazolylmethyl)phenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[4-(pyrazol-1-ylmethyl)phenyl]thiourea Traditional Name: 1-[4-(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=C(C=C2)CN3C=CC=N3

Isomeric SMILES

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

InChI

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