1-(4-butan-2-ylphenyl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Traditional Name: 1-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea Formula: C27H30N4S MolecularWeight: 442.6189

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C27H30N4S/c1-5-18(2)21-13-15-24(16-14-21)28-27(32)29-26-19(3)30-31(20(26)4)17-23-11-8-10-22-9-6-7-12-25(22)23/h6-16,18H,5,17H2,1-4H3,(H2,28,29,32)