2-[(4-chlorophenyl)methylsulfanyl]-6-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]pyridine-3-carbonitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]pyridine-3-carbonitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]pyridine-3-carbonitrile CAS Name: 2-[(4-chlorophenyl)methylthio]-6-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]-3-pyridinecarbonitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-6-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)ethenyl]pyridine-3-carbonitrile Traditional Name: 2-[(4-chlorobenzyl)thio]-6-[(E)-2-(1-methyl-2,3-dihydro-1,4-benzodiazepin-5-yl)vinyl]nicotinonitrile Formula: C25H21ClN4S MolecularWeight: 444.97904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C(C2=CC=CC=C21)C=CC3=NC(=C(C=C3)C#N)SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CCN=C(C2=CC=CC=C21)/C=C/C3=NC(=C(C=C3)C#N)SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN4S/c1-30-15-14-28-23(22-4-2-3-5-24(22)30)13-12-21-11-8-19(16-27)25(29-21)31-17-18-6-9-20(26)10-7-18/h2-13H,14-15,17H2,1H3/b13-12+