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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-methylprop-2-enylcarbamothioylamino)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-methylallylcarbamothioylamino)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(2-methylprop-2-enylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-methylprop-2-enylcarbamothioylamino)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(2-methylallylthiocarbamoylamino)thiourea Formula: C17H22N6OS2 MolecularWeight: 390.52618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NCC(=C)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NCC(=C)C

InChI

InChI=1S/C17H22N6OS2/c1-11(2)10-18-16(25)20-21-17(26)19-14-12(3)22(4)23(15(14)24)13-8-6-5-7-9-13/h5-9H,1,10H2,2-4H3,(H2,18,20,25)(H2,19,21,26)