1-phenethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea

Systemtic Name: 1-phenethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Openeye Name: 1-phenethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea CAS Name: 1-phenethyl-3-[(1,3,5-trimethyl-4-pyrazolyl)methyl]thiourea IUPAC Name: 1-phenethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Traditional Name: 1-phenethyl-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]thiourea Formula: C16H22N4S MolecularWeight: 302.43768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC(=S)NCCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC(=S)NCCC2=CC=CC=C2

InChI

InChI=1S/C16H22N4S/c1-12-15(13(2)20(3)19-12)11-18-16(21)17-10-9-14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H2,17,18,21)