3-azanyl-4-(cyclohexen-1-yl)-5-oxidanylidene-N-phenyl-1H-pyrazole-2-carbothioamide

Systemtic Name: 3-azanyl-4-(cyclohexen-1-yl)-5-oxidanylidene-N-phenyl-1H-pyrazole-2-carbothioamide Openeye Name: 3-amino-4-(cyclohexen-1-yl)-5-oxo-N-phenyl-1H-pyrazole-2-carbothioamide CAS Name: 3-amino-4-(1-cyclohexenyl)-5-oxo-N-phenyl-1H-pyrazole-2-carbothioamide IUPAC Name: 3-amino-4-(cyclohexen-1-yl)-5-oxo-N-phenyl-1H-pyrazole-2-carbothioamide Traditional Name: 5-amino-4-(cyclohexen-1-yl)-3-keto-N-phenyl-3-pyrazoline-1-carbothioamide Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2=C(N(NC2=O)C(=S)NC3=CC=CC=C3)N

Isomeric SMILES

C1CCC(=CC1)C2=C(N(NC2=O)C(=S)NC3=CC=CC=C3)N

InChI

InChI=1S/C16H18N4OS/c17-14-13(11-7-3-1-4-8-11)15(21)19-20(14)16(22)18-12-9-5-2-6-10-12/h2,5-7,9-10H,1,3-4,8,17H2,(H,18,22)(H,19,21)