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

Systemtic Name: (E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-octoxyphenyl)prop-2-enenitrile Openeye Name: (E)-2-[4-(4-methoxyphenyl)thiazol-2-yl]-3-(4-octoxyphenyl)prop-2-enenitrile CAS Name: (E)-2-[4-(4-methoxyphenyl)-2-thiazolyl]-3-(4-octoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(4-octoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-[4-(4-methoxyphenyl)thiazol-2-yl]-3-(4-octoxyphenyl)acrylonitrile Formula: C27H30N2O2S MolecularWeight: 446.6043

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O2S/c1-3-4-5-6-7-8-17-31-25-13-9-21(10-14-25)18-23(19-28)27-29-26(20-32-27)22-11-15-24(30-2)16-12-22/h9-16,18,20H,3-8,17H2,1-2H3/b23-18+