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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(prop-2-enylcarbamothioylamino)thiourea Openeye Name: 1-allyl-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamothioylamino]thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[[(prop-2-enylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(prop-2-enylcarbamothioylamino)thiourea Traditional Name: 1-allyl-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiocarbamoylamino]thiourea Formula: C16H20N6OS2 MolecularWeight: 376.4996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6OS2/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/h4-9H,1,10H2,2-3H3,(H2,17,19,24)(H2,18,20,25)