2-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butylsulfanyl]pyrimidine

Systemtic Name: 2-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butylsulfanyl]pyrimidine Openeye Name: 2-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butylsulfanyl]pyrimidine CAS Name: 2-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butylthio]pyrimidine IUPAC Name: 2-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butylsulfanyl]pyrimidine Traditional Name: 2-[4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butylthio]pyrimidine Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCCCCSC2=NC=CC=N2)OC

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCCCCSC2=NC=CC=N2)OC

InChI

InChI=1S/C18H22N2O2S/c1-3-7-15-8-9-16(17(14-15)21-2)22-12-4-5-13-23-18-19-10-6-11-20-18/h3,6-11,14H,4-5,12-13H2,1-2H3/b7-3+