N-(butylcarbamothioylimino)-4-[2-[1-(2-hydroxyethyl)-3,5-dimethyl-pyrazol-4-yl]hydrazinyl]benzamide

Systemtic Name: N-(butylcarbamothioylimino)-4-[2-[1-(2-hydroxyethyl)-3,5-dimethyl-pyrazol-4-yl]hydrazinyl]benzamide Openeye Name: N-(butylcarbamothioylimino)-4-[2-[1-(2-hydroxyethyl)-3,5-dimethyl-pyrazol-4-yl]hydrazino]benzamide CAS Name: N-[butylamino(sulfanylidene)methyl]imino-4-[[1-(2-hydroxyethyl)-3,5-dimethyl-4-pyrazolyl]hydrazo]benzamide IUPAC Name: N-(butylcarbamothioylimino)-4-[2-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]hydrazinyl]benzamide Traditional Name: N-(butylthiocarbamoylimino)-4-[N'-[1-(2-hydroxyethyl)-3,5-dimethyl-pyrazol-4-yl]hydrazino]benzamide Formula: C19H27N7O2S MolecularWeight: 417.52838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N=NC(=O)C1=CC=C(C=C1)NNC2=C(N(N=C2C)CCO)C

Isomeric SMILES

CCCCNC(=S)N=NC(=O)C1=CC=C(C=C1)NNC2=C(N(N=C2C)CCO)C

InChI

InChI=1S/C19H27N7O2S/c1-4-5-10-20-19(29)24-23-18(28)15-6-8-16(9-7-15)21-22-17-13(2)25-26(11-12-27)14(17)3/h6-9,21-22,27H,4-5,10-12H2,1-3H3,(H,20,29)