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

Systemtic Name: 1-butyl-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Openeye Name: 1-butyl-3-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiourea CAS Name: 1-butyl-3-[3,5-dimethyl-1-(1-naphthalenylmethyl)-4-pyrazolyl]thiourea IUPAC Name: 1-butyl-3-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]thiourea Traditional Name: 1-butyl-3-[3,5-dimethyl-1-(1-naphthylmethyl)pyrazol-4-yl]thiourea Formula: C21H26N4S MolecularWeight: 366.52294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(N(N=C1C)CC2=CC=CC3=CC=CC=C32)C

Isomeric SMILES

CCCCNC(=S)NC1=C(N(N=C1C)CC2=CC=CC3=CC=CC=C32)C

InChI

InChI=1S/C21H26N4S/c1-4-5-13-22-21(26)23-20-15(2)24-25(16(20)3)14-18-11-8-10-17-9-6-7-12-19(17)18/h6-12H,4-5,13-14H2,1-3H3,(H2,22,23,26)