N-(4-methyl-3-nitro-phenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H19N5O4S MolecularWeight: 413.45026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)COC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)COC3=CC=CC=C3)[N+](=O)[O-]

InChI

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