4-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazole-1-carbothioamide

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazole-1-carbothioamide Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-3-methyl-5-oxo-pyrazole-1-carbothioamide CAS Name: 4-[[4-(1-azepanylsulfonyl)phenyl]hydrazinylidene]-3-methyl-5-oxo-1-pyrazolecarbothioamide IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]hydrazono]-5-keto-3-methyl-2-pyrazoline-1-carbothioamide Formula: C17H22N6O3S2 MolecularWeight: 422.52498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=S)N

Isomeric SMILES

CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=S)N

InChI

InChI=1S/C17H22N6O3S2/c1-12-15(16(24)23(21-12)17(18)27)20-19-13-6-8-14(9-7-13)28(25,26)22-10-4-2-3-5-11-22/h6-9,19H,2-5,10-11H2,1H3,(H2,18,27)