N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzofuran-2-carboxamide CAS Name: N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-3-[(1H-1,2,4-triazol-5-ylthio)methyl]coumarilamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5=NC=NN5

Isomeric SMILES

C[C@@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=C(C4=CC=CC=C4O3)CSC5=NC=NN5

InChI

InChI=1S/C21H17N5O4S/c1-11-19(27)25-15-8-12(6-7-17(15)29-11)24-20(28)18-14(9-31-21-22-10-23-26-21)13-4-2-3-5-16(13)30-18/h2-8,10-11H,9H2,1H3,(H,24,28)(H,25,27)(H,22,23,26)/t11-/m1/s1