2-methylsulfanyl-6-[[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile

Systemtic Name: 2-methylsulfanyl-6-[[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 2-methylsulfanyl-6-[[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 2-(methylthio)-6-[[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methyl]-3-pyridinecarbonitrile IUPAC Name: 2-methylsulfanyl-6-[[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 2-(methylthio)-6-[[4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]methyl]nicotinonitrile Formula: C22H24N6OS MolecularWeight: 420.53056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C22H24N6OS/c1-30-22-18(14-23)8-9-19(24-22)15-27-10-5-11-28(13-12-27)16-20-25-21(29-26-20)17-6-3-2-4-7-17/h2-4,6-9H,5,10-13,15-16H2,1H3