(3S)-N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: (3S)-N-[5-chloranyl-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-1-keto-3-methyl-isochroman-3-carboxamide Formula: C19H15ClN4O3 MolecularWeight: 382.8004

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C=CC(=C3)Cl)N4C=NC=N4

InChI

InChI=1S/C19H15ClN4O3/c1-19(9-12-4-2-3-5-14(12)17(25)27-19)18(26)23-15-8-13(20)6-7-16(15)24-11-21-10-22-24/h2-8,10-11H,9H2,1H3,(H,23,26)/t19-/m0/s1