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

Systemtic Name: 2-[[5-[[(2-methyl-5-nitro-phenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(2-methyl-5-nitro-anilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(2-methyl-5-nitroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(2-methyl-5-nitroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(2-methyl-5-nitro-anilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)N

InChI

InChI=1S/C18H18N6O3S/c1-12-7-8-14(24(26)27)9-15(12)20-10-17-21-22-18(28-11-16(19)25)23(17)13-5-3-2-4-6-13/h2-9,20H,10-11H2,1H3,(H2,19,25)