1-cyclopropyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamothioylamino]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NC3CC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NNC(=S)NC3CC3

InChI

InChI=1S/C16H20N6OS2/c1-10-13(18-16(25)20-19-15(24)17-11-8-9-11)14(23)22(21(10)2)12-6-4-3-5-7-12/h3-7,11H,8-9H2,1-2H3,(H2,17,19,24)(H2,18,20,25)