2-methylsulfanyl-6-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile

Systemtic Name: 2-methylsulfanyl-6-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 2-methylsulfanyl-6-[[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 2-(methylthio)-6-[[4-(2-thiazolylmethyl)-1,4-diazepan-1-yl]methyl]-3-pyridinecarbonitrile IUPAC Name: 2-methylsulfanyl-6-[[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 2-(methylthio)-6-[[4-(thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methyl]nicotinonitrile Formula: C17H21N5S2 MolecularWeight: 359.51214

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC3=NC=CS3)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC3=NC=CS3)C#N

InChI

InChI=1S/C17H21N5S2/c1-23-17-14(11-18)3-4-15(20-17)12-21-6-2-7-22(9-8-21)13-16-19-5-10-24-16/h3-5,10H,2,6-9,12-13H2,1H3