1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(propylcarbamothioylamino)thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(propylcarbamothioylamino)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(propylcarbamothioylamino)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[propylamino(sulfanylidene)methyl]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(propylcarbamothioylamino)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(propylthiocarbamoylamino)thiourea Formula: C16H22N6OS2 MolecularWeight: 378.51548

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

Isomeric SMILES

CCCNC(=S)NNC(=S)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C

InChI

InChI=1S/C16H22N6OS2/c1-4-10-17-15(24)19-20-16(25)18-13-11(2)21(3)22(14(13)23)12-8-6-5-7-9-12/h5-9H,4,10H2,1-3H3,(H2,17,19,24)(H2,18,20,25)