2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one

Systemtic Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one Openeye Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one CAS Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrophenyl]-2,3-dihydro-1,3-benzoxazin-4-one IUPAC Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrophenyl]-2,3-dihydro-1,3-benzoxazin-4-one Traditional Name: 2-[4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-phenyl]-2,3-dihydro-1,3-benzoxazin-4-one Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C3NC(=O)C4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C3NC(=O)C4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O4S/c1-21-9-18-20-17(21)27-14-7-6-10(8-12(14)22(24)25)16-19-15(23)11-4-2-3-5-13(11)26-16/h2-9,16H,1H3,(H,19,23)