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

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)amino]-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-(3-chloro-4-methyl-anilino)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(3-chloro-4-methylanilino)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(3-chloro-4-methylanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(3-chloro-4-methyl-anilino)-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]acrylonitrile Formula: C22H14ClN3O2S MolecularWeight: 419.88346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)Cl

InChI

InChI=1S/C22H14ClN3O2S/c1-13-6-7-16(9-18(13)23)25-11-15(10-24)21-26-19(12-29-21)17-8-14-4-2-3-5-20(14)28-22(17)27/h2-9,11-12,25H,1H3