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

Systemtic Name: 3-[(4-butylphenyl)amino]-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(4-butylanilino)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(4-butylanilino)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(4-butylanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(4-butylanilino)-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]acrylonitrile Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C25H21N3O2S/c1-2-3-6-17-9-11-20(12-10-17)27-15-19(14-26)24-28-22(16-31-24)21-13-18-7-4-5-8-23(18)30-25(21)29/h4-5,7-13,15-16,27H,2-3,6H2,1H3