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

Systemtic Name: 2-methylsulfanyl-6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 2-methylsulfanyl-6-[[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 6-[[4-[(2-methyl-4-thiazolyl)methyl]-1,4-diazepan-1-yl]methyl]-2-(methylthio)-3-pyridinecarbonitrile IUPAC Name: 2-methylsulfanyl-6-[[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 6-[[4-[(2-methylthiazol-4-yl)methyl]-1,4-diazepan-1-yl]methyl]-2-(methylthio)nicotinonitrile Formula: C18H23N5S2 MolecularWeight: 373.53872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCCN(CC2)CC3=NC(=C(C=C3)C#N)SC

Isomeric SMILES

CC1=NC(=CS1)CN2CCCN(CC2)CC3=NC(=C(C=C3)C#N)SC

InChI

InChI=1S/C18H23N5S2/c1-14-20-17(13-25-14)12-23-7-3-6-22(8-9-23)11-16-5-4-15(10-19)18(21-16)24-2/h4-5,13H,3,6-9,11-12H2,1-2H3