4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C19H26ClN5OS MolecularWeight: 407.96064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NC3=CC=CC=C3SC)Cl)C

Isomeric SMILES

CC1=NN(C(=C1CN2CCCN(CC2)C(=O)NC3=CC=CC=C3SC)Cl)C

InChI

InChI=1S/C19H26ClN5OS/c1-14-15(18(20)23(2)22-14)13-24-9-6-10-25(12-11-24)19(26)21-16-7-4-5-8-17(16)27-3/h4-5,7-8H,6,9-13H2,1-3H3,(H,21,26)