3-[(4-butylphenyl)amino]-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-[(4-butylphenyl)amino]-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(4-butylanilino)-2-[4-(4-ethoxyphenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(4-butylanilino)-2-[4-(4-ethoxyphenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(4-butylanilino)-2-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(4-butylanilino)-2-(4-p-phenetylthiazol-2-yl)acrylonitrile Formula: C24H25N3OS MolecularWeight: 403.5398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)OCC

InChI

InChI=1S/C24H25N3OS/c1-3-5-6-18-7-11-21(12-8-18)26-16-20(15-25)24-27-23(17-29-24)19-9-13-22(14-10-19)28-4-2/h7-14,16-17,26H,3-6H2,1-2H3