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

Systemtic Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-methyl-3-nitrophenyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-methyl-3-nitrophenyl)-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-methyl-3-nitro-phenyl)-2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H23N5O3S2 MolecularWeight: 493.60112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O3S2/c1-17-9-10-19(14-21(17)29(31)32)25-23(30)16-34-24-27-26-22(15-20-8-5-13-33-20)28(24)12-11-18-6-3-2-4-7-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,25,30)