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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitro-phenyl)acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-methyl-3-nitro-phenyl)acetamide Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-13-8-9-15(11-16(13)24(26)27)20-18(25)12-28-19-22-21-17(23(19)2)10-14-6-4-3-5-7-14/h3-9,11H,10,12H2,1-2H3,(H,20,25)