4-[[[3-(phenylsulfanylmethyl)cyclohept-2-en-1-yl]-(pyridin-3-ylmethyl)amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[3-(phenylsulfanylmethyl)cyclohept-2-en-1-yl]-(pyridin-3-ylmethyl)amino]methyl]benzenecarbonitrile Openeye Name: 4-[[[3-(phenylsulfanylmethyl)cyclohept-2-en-1-yl]-(3-pyridylmethyl)amino]methyl]benzonitrile CAS Name: 4-[[[3-[(phenylthio)methyl]-1-cyclohept-2-enyl]-(3-pyridinylmethyl)amino]methyl]benzonitrile IUPAC Name: 4-[[[3-(phenylsulfanylmethyl)cyclohept-2-en-1-yl]-(pyridin-3-ylmethyl)amino]methyl]benzonitrile Traditional Name: 4-[[[3-[(phenylthio)methyl]cyclohept-2-en-1-yl]-(3-pyridylmethyl)amino]methyl]benzonitrile Formula: C28H29N3S MolecularWeight: 439.61496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC(C1)N(CC2=CC=C(C=C2)C#N)CC3=CN=CC=C3)CSC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC(C1)N(CC2=CC=C(C=C2)C#N)CC3=CN=CC=C3)CSC4=CC=CC=C4

InChI

InChI=1S/C28H29N3S/c29-18-23-12-14-24(15-13-23)20-31(21-26-8-6-16-30-19-26)27-9-5-4-7-25(17-27)22-32-28-10-2-1-3-11-28/h1-3,6,8,10-17,19,27H,4-5,7,9,20-22H2