N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide CAS Name: N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC2=CC3=C(C=C2)OC(C(=O)N3)C

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC2=CC3=C(C=C2)O[C@@H](C(=O)N3)C

InChI

InChI=1S/C16H19N5O3S/c1-3-4-13-19-20-16(25)21(13)8-14(22)17-10-5-6-12-11(7-10)18-15(23)9(2)24-12/h5-7,9H,3-4,8H2,1-2H3,(H,17,22)(H,18,23)(H,20,25)/t9-/m1/s1