(E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-octoxyphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-octoxyphenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-octoxyphenyl)-2-[4-(p-tolyl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-2-[4-(4-methylphenyl)-2-thiazolyl]-3-(4-octoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4-octoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-octoxyphenyl)-2-[4-(p-tolyl)thiazol-2-yl]acrylonitrile Formula: C27H30N2OS MolecularWeight: 430.6049

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)C

InChI

InChI=1S/C27H30N2OS/c1-3-4-5-6-7-8-17-30-25-15-11-22(12-16-25)18-24(19-28)27-29-26(20-31-27)23-13-9-21(2)10-14-23/h9-16,18,20H,3-8,17H2,1-2H3/b24-18+