N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H15N5O5S MolecularWeight: 413.4072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O5S/c1-22-10-19-21-18(22)29-16-5-2-11(8-13(16)23(25)26)17(24)20-12-3-4-14-15(9-12)28-7-6-27-14/h2-5,8-10H,6-7H2,1H3,(H,20,24)