(E)-3-[(3-butoxyphenyl)amino]-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-3-[(3-butoxyphenyl)amino]-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(3-butoxyanilino)-2-[4-(4-phenylphenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(3-butoxyanilino)-2-[4-(4-phenylphenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(3-butoxyanilino)-2-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-3-(3-butoxyanilino)-2-[4-(4-phenylphenyl)thiazol-2-yl]acrylonitrile Formula: C28H25N3OS MolecularWeight: 451.5826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H25N3OS/c1-2-3-16-32-26-11-7-10-25(17-26)30-19-24(18-29)28-31-27(20-33-28)23-14-12-22(13-15-23)21-8-5-4-6-9-21/h4-15,17,19-20,30H,2-3,16H2,1H3/b24-19+