5-(4-chloranyl-3-methyl-phenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-pentanenitrile

Systemtic Name: 5-(4-chloranyl-3-methyl-phenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxidanylidene-pentanenitrile Openeye Name: 5-(4-chloro-3-methyl-phenoxy)-2-[4-(3-nitrophenyl)thiazol-2-yl]-3-oxo-pentanenitrile CAS Name: 5-(4-chloro-3-methylphenoxy)-2-[4-(3-nitrophenyl)-2-thiazolyl]-3-oxopentanenitrile IUPAC Name: 5-(4-chloro-3-methylphenoxy)-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-3-oxopentanenitrile Traditional Name: 5-(4-chloro-3-methyl-phenoxy)-3-keto-2-[4-(3-nitrophenyl)thiazol-2-yl]valeronitrile Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCC(=O)C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCC(=O)C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H16ClN3O4S/c1-13-9-16(5-6-18(13)22)29-8-7-20(26)17(11-23)21-24-19(12-30-21)14-3-2-4-15(10-14)25(27)28/h2-6,9-10,12,17H,7-8H2,1H3