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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea Openeye Name: 1-[1-(1-naphthylmethyl)pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-(1-naphthalenylmethyl)-3-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea Traditional Name: 1-[1-(1-naphthylmethyl)pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea Formula: C25H26N4S MolecularWeight: 414.56574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H26N4S/c1-3-18(2)19-11-13-22(14-12-19)26-25(30)27-24-15-16-29(28-24)17-21-9-6-8-20-7-4-5-10-23(20)21/h4-16,18H,3,17H2,1-2H3,(H2,26,27,28,30)