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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC=CC4=CC=CC=C43)C

InChI

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