N-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine

Systemtic Name: N-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine Openeye Name: N-(phenylsulfanylmethyl)-N-(3-pyridylmethyl)cyclohept-2-en-1-amine CAS Name: N-[(phenylthio)methyl]-N-(3-pyridinylmethyl)-1-cyclohept-2-enamine IUPAC Name: N-(phenylsulfanylmethyl)-N-(pyridin-3-ylmethyl)cyclohept-2-en-1-amine Traditional Name: cyclohept-2-en-1-yl-[(phenylthio)methyl]-(3-pyridylmethyl)amine Formula: C20H24N2S MolecularWeight: 324.48296

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C=CC1)N(CC2=CN=CC=C2)CSC3=CC=CC=C3

Isomeric SMILES

C1CCC(C=CC1)N(CC2=CN=CC=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C20H24N2S/c1-2-5-11-19(10-4-1)22(16-18-9-8-14-21-15-18)17-23-20-12-6-3-7-13-20/h3-4,6-10,12-15,19H,1-2,5,11,16-17H2