1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[3-(methylthio)propyl]thiourea Formula: C17H24N4S2 MolecularWeight: 348.52926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCCCSC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=S)NCCCSC

InChI

InChI=1S/C17H24N4S2/c1-13-16(12-19-17(22)18-10-7-11-23-3)14(2)21(20-13)15-8-5-4-6-9-15/h4-6,8-9H,7,10-12H2,1-3H3,(H2,18,19,22)