N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C18H14BrN5O5S MolecularWeight: 492.30326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3Br)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3Br)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrN5O5S/c1-23-9-20-22-18(23)30-16-3-2-10(6-13(16)24(26)27)17(25)21-12-8-15-14(7-11(12)19)28-4-5-29-15/h2-3,6-9H,4-5H2,1H3,(H,21,25)