4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-(3-pyridinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide Formula: C17H23ClN6S MolecularWeight: 378.92272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NC3=CN=CC=C3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=S)NC3=CN=CC=C3)Cl)C

InChI

InChI=1S/C17H23ClN6S/c1-13-15(16(18)22(2)21-13)12-23-7-4-8-24(10-9-23)17(25)20-14-5-3-6-19-11-14/h3,5-6,11H,4,7-10,12H2,1-2H3,(H,20,25)