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

Systemtic Name: 1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-3-propyl-thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-propyl-thiourea CAS Name: 1-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-3-propylthiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-propylthiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-propyl-thiourea Formula: C17H24N4S MolecularWeight: 316.46426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N4S/c1-4-10-18-17(22)19-11-16-13(2)20-21(14(16)3)12-15-8-6-5-7-9-15/h5-9H,4,10-12H2,1-3H3,(H2,18,19,22)