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

Systemtic Name: N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzamide IUPAC Name: N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[2-(4-methylphenoxy)ethyl]-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4S/c1-13-3-6-15(7-4-13)28-10-9-20-18(25)14-5-8-17(16(11-14)24(26)27)29-19-22-21-12-23(19)2/h3-8,11-12H,9-10H2,1-2H3,(H,20,25)