1-butyl-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea

Systemtic Name: 1-butyl-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea Openeye Name: 1-butyl-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea CAS Name: 1-butyl-3-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]thiourea IUPAC Name: 1-butyl-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea Traditional Name: 1-butyl-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea Formula: C17H24N4S MolecularWeight: 316.46426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)CN2C(=CC(=N2)C)C

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)CN2C(=CC(=N2)C)C

InChI

InChI=1S/C17H24N4S/c1-4-5-10-18-17(22)19-16-8-6-15(7-9-16)12-21-14(3)11-13(2)20-21/h6-9,11H,4-5,10,12H2,1-3H3,(H2,18,19,22)