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

Systemtic Name: 3-(phenylsulfanylmethyl)-N,N-bis(pyridin-3-ylmethyl)cyclohept-2-en-1-amine Openeye Name: 3-(phenylsulfanylmethyl)-N,N-bis(3-pyridylmethyl)cyclohept-2-en-1-amine CAS Name: 3-[(phenylthio)methyl]-N,N-bis(3-pyridinylmethyl)-1-cyclohept-2-enamine IUPAC Name: 3-(phenylsulfanylmethyl)-N,N-bis(pyridin-3-ylmethyl)cyclohept-2-en-1-amine Traditional Name: [3-[(phenylthio)methyl]cyclohept-2-en-1-yl]-bis(3-pyridylmethyl)amine Formula: C26H29N3S MolecularWeight: 415.59356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3S/c1-2-12-26(13-3-1)30-21-22-8-4-5-11-25(16-22)29(19-23-9-6-14-27-17-23)20-24-10-7-15-28-18-24/h1-3,6-7,9-10,12-18,25H,4-5,8,11,19-21H2