2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(7-nitro-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethanamide Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(7-nitro-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-N-(3-keto-7-nitro-4H-1,4-benzoxazin-6-yl)acetamide Formula: C19H16N6O5S2 MolecularWeight: 472.49754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)NC3=C(C=C4C(=C3)NC(=O)CO4)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)NC3=C(C=C4C(=C3)NC(=O)CO4)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C19H16N6O5S2/c26-16-8-30-14-7-13(25(28)29)11(6-12(14)21-16)20-17(27)9-32-19-23-22-18(15-2-1-5-31-15)24(19)10-3-4-10/h1-2,5-7,10H,3-4,8-9H2,(H,20,27)(H,21,26)