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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea Openeye Name: 1-[(4-pyrazol-1-ylphenyl)methyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[[4-(1-pyrazolyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thiourea Traditional Name: 1-(4-pyrazol-1-ylbenzyl)-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)NCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)N3C=CC=N3

InChI

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