(Z)-2-[4-(2-diethylaminoethyloxy)phenyl]-3-(4-heptylsulfanylphenyl)prop-2-enenitrile

Systemtic Name: (Z)-2-[4-(2-diethylaminoethyloxy)phenyl]-3-(4-heptylsulfanylphenyl)prop-2-enenitrile Openeye Name: (Z)-2-[4-(2-diethylaminoethyloxy)phenyl]-3-(4-heptylsulfanylphenyl)prop-2-enenitrile CAS Name: (Z)-2-[4-(2-diethylaminoethyloxy)phenyl]-3-[4-(heptylthio)phenyl]-2-propenenitrile IUPAC Name: (Z)-2-[4-(2-diethylaminoethyloxy)phenyl]-3-(4-heptylsulfanylphenyl)prop-2-enenitrile Traditional Name: (Z)-2-[4-(2-diethylaminoethyloxy)phenyl]-3-[4-(heptylthio)phenyl]acrylonitrile Formula: C28H38N2OS MolecularWeight: 450.67912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)OCCN(CC)CC

Isomeric SMILES

CCCCCCCSC1=CC=C(C=C1)/C=C(\C#N)/C2=CC=C(C=C2)OCCN(CC)CC

InChI

InChI=1S/C28H38N2OS/c1-4-7-8-9-10-21-32-28-17-11-24(12-18-28)22-26(23-29)25-13-15-27(16-14-25)31-20-19-30(5-2)6-3/h11-18,22H,4-10,19-21H2,1-3H3/b26-22+