1-butyl-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]thiourea

Systemtic Name: 1-butyl-3-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-butyl-thiourea CAS Name: 1-butyl-3-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]thiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-butylthiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-butyl-thiourea Formula: C18H26N4S MolecularWeight: 330.49084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCC1=C(N(N=C1C)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCNC(=S)NCC1=C(N(N=C1C)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H26N4S/c1-4-5-11-19-18(23)20-12-17-14(2)21-22(15(17)3)13-16-9-7-6-8-10-16/h6-10H,4-5,11-13H2,1-3H3,(H2,19,20,23)