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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C20H19N5O5S MolecularWeight: 441.46036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)N(C)CC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O5S/c1-23(11-13-3-5-16-17(9-13)30-8-7-29-16)19(26)14-4-6-18(15(10-14)25(27)28)31-20-22-21-12-24(20)2/h3-6,9-10,12H,7-8,11H2,1-2H3