1-(4-butylphenyl)-3-[1-(phenylmethyl)pyrazol-3-yl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[1-(phenylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-(1-benzylpyrazol-3-yl)-3-(4-butylphenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-[1-(phenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(1-benzylpyrazol-3-yl)-3-(4-butylphenyl)thiourea Traditional Name: 1-(1-benzylpyrazol-3-yl)-3-(4-butylphenyl)thiourea Formula: C21H24N4S MolecularWeight: 364.50706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=CC=C3

InChI

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