1-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]thiourea

Systemtic Name: 1-[(3-methyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methylamino]thiourea Openeye Name: [(3-methyl-5-oxo-1-phenyl-pyrazol-4-ylidene)methylamino]thiourea CAS Name: [(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methylamino]thiourea IUPAC Name: [(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methylamino]thiourea Traditional Name: [(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-ylidene)methylamino]thiourea Formula: C12H13N5OS MolecularWeight: 275.32952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNNC(=S)N)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=O)C1=CNNC(=S)N)C2=CC=CC=C2

InChI

InChI=1S/C12H13N5OS/c1-8-10(7-14-15-12(13)19)11(18)17(16-8)9-5-3-2-4-6-9/h2-7,14H,1H3,(H3,13,15,19)