N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-methyl-N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C20H21N5O4S MolecularWeight: 427.47684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN(C)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCN(C)C(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O4S/c1-14-4-7-16(8-5-14)29-11-10-23(2)19(26)15-6-9-18(17(12-15)25(27)28)30-20-22-21-13-24(20)3/h4-9,12-13H,10-11H2,1-3H3