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

Systemtic Name: 2-methylsulfanyl-6-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Openeye Name: 2-methylsulfanyl-6-[[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile CAS Name: 2-(methylthio)-6-[[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]-3-pyridinecarbonitrile IUPAC Name: 2-methylsulfanyl-6-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]pyridine-3-carbonitrile Traditional Name: 2-(methylthio)-6-[[4-(3-thenyl)-1,4-diazepan-1-yl]methyl]nicotinonitrile Formula: C18H22N4S2 MolecularWeight: 358.52408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC3=CSC=C3)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC3=CSC=C3)C#N

InChI

InChI=1S/C18H22N4S2/c1-23-18-16(11-19)3-4-17(20-18)13-22-7-2-6-21(8-9-22)12-15-5-10-24-14-15/h3-5,10,14H,2,6-9,12-13H2,1H3