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

Systemtic Name: 3-[(3-butoxyphenyl)amino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-butoxyanilino)-2-(4-phenylthiazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-butoxyanilino)-2-(4-phenyl-2-thiazolyl)-2-propenenitrile IUPAC Name: 3-(3-butoxyanilino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-butoxyanilino)-2-(4-phenylthiazol-2-yl)acrylonitrile Formula: C22H21N3OS MolecularWeight: 375.48664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3OS/c1-2-3-12-26-20-11-7-10-19(13-20)24-15-18(14-23)22-25-21(16-27-22)17-8-5-4-6-9-17/h4-11,13,15-16,24H,2-3,12H2,1H3