1-(3-methylsulfanylphenyl)-3-[3-(4-oxidanyl-1H-pyrazol-5-yl)propyl]thiourea

Systemtic Name: 1-(3-methylsulfanylphenyl)-3-[3-(4-oxidanyl-1H-pyrazol-5-yl)propyl]thiourea Openeye Name: 1-[3-(4-hydroxy-1H-pyrazol-5-yl)propyl]-3-(3-methylsulfanylphenyl)thiourea CAS Name: 1-[3-(4-hydroxy-1H-pyrazol-5-yl)propyl]-3-[3-(methylthio)phenyl]thiourea IUPAC Name: 1-[3-(4-hydroxy-1H-pyrazol-5-yl)propyl]-3-(3-methylsulfanylphenyl)thiourea Traditional Name: 1-[3-(4-hydroxy-1H-pyrazol-5-yl)propyl]-3-[3-(methylthio)phenyl]thiourea Formula: C14H18N4OS2 MolecularWeight: 322.44892

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=S)NCCCC2=C(C=NN2)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=S)NCCCC2=C(C=NN2)O

InChI

InChI=1S/C14H18N4OS2/c1-21-11-5-2-4-10(8-11)17-14(20)15-7-3-6-12-13(19)9-16-18-12/h2,4-5,8-9,19H,3,6-7H2,1H3,(H,16,18)(H2,15,17,20)