N-methyl-4-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-methyl-4-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-methyl-4-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-methyl-4-[1-oxo-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-methyl-4-[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-methyl-4-[2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H19N5O3S MolecularWeight: 409.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H19N5O3S/c1-21-19(27)17-11-24(15-9-5-6-10-16(15)28-17)18(26)12-29-20-22-13-25(23-20)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3,(H,21,27)