1-[(E)-(3-azanyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-3-cyclohexyl-thiourea

Systemtic Name: 1-[(E)-(3-azanyl-5-oxidanylidene-1-phenyl-pyrazol-4-ylidene)methyl]-3-cyclohexyl-thiourea Openeye Name: 1-[(E)-(3-amino-5-oxo-1-phenyl-pyrazol-4-ylidene)methyl]-3-cyclohexyl-thiourea CAS Name: 1-[(E)-(3-amino-5-oxo-1-phenyl-4-pyrazolylidene)methyl]-3-cyclohexylthiourea IUPAC Name: 1-[(E)-(3-amino-5-oxo-1-phenylpyrazol-4-ylidene)methyl]-3-cyclohexylthiourea Traditional Name: 1-[(E)-(3-amino-5-keto-1-phenyl-2-pyrazolin-4-ylidene)methyl]-3-cyclohexyl-thiourea Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NC=C2C(=NN(C2=O)C3=CC=CC=C3)N

Isomeric SMILES

C1CCC(CC1)NC(=S)N/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)N

InChI

InChI=1S/C17H21N5OS/c18-15-14(11-19-17(24)20-12-7-3-1-4-8-12)16(23)22(21-15)13-9-5-2-6-10-13/h2,5-6,9-12H,1,3-4,7-8H2,(H2,18,21)(H2,19,20,24)/b14-11+