5-[4-methoxy-2-[(E)-6-[4-methoxy-2-(phenylsulfanylmethyl)pyridin-3-yl]hex-3-enyl]pyridin-3-yl]pent-1-en-3-ol

Systemtic Name: 5-[4-methoxy-2-[(E)-6-[4-methoxy-2-(phenylsulfanylmethyl)pyridin-3-yl]hex-3-enyl]pyridin-3-yl]pent-1-en-3-ol Openeye Name: 5-[4-methoxy-2-[(E)-6-[4-methoxy-2-(phenylsulfanylmethyl)-3-pyridyl]hex-3-enyl]-3-pyridyl]pent-1-en-3-ol CAS Name: 5-[4-methoxy-2-[(E)-6-[4-methoxy-2-[(phenylthio)methyl]-3-pyridinyl]hex-3-enyl]-3-pyridinyl]-1-penten-3-ol IUPAC Name: 5-[4-methoxy-2-[(E)-6-[4-methoxy-2-(phenylsulfanylmethyl)pyridin-3-yl]hex-3-enyl]pyridin-3-yl]pent-1-en-3-ol Traditional Name: 5-[4-methoxy-2-[(E)-6-[4-methoxy-2-[(phenylthio)methyl]-3-pyridyl]hex-3-enyl]-3-pyridyl]pent-1-en-3-ol Formula: C30H36N2O3S MolecularWeight: 504.68344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)CCC=CCCC2=C(C=CN=C2CSC3=CC=CC=C3)OC)CCC(C=C)O

Isomeric SMILES

COC1=C(C(=NC=C1)CC/C=C/CCC2=C(C=CN=C2CSC3=CC=CC=C3)OC)CCC(C=C)O

InChI

InChI=1S/C30H36N2O3S/c1-4-23(33)16-17-26-27(31-20-18-30(26)35-3)15-11-6-5-10-14-25-28(32-21-19-29(25)34-2)22-36-24-12-8-7-9-13-24/h4-9,12-13,18-21,23,33H,1,10-11,14-17,22H2,2-3H3/b6-5+