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

Systemtic Name: 2-[3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-[(2-methyl-3-nitrophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-[(2-methyl-3-nitro-benzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetamide Formula: C16H15N5O3S2 MolecularWeight: 389.452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC(=O)N)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CC(=O)N)C3=CC=CS3

InChI

InChI=1S/C16H15N5O3S2/c1-10-11(4-2-5-12(10)21(23)24)9-26-16-19-18-15(13-6-3-7-25-13)20(16)8-14(17)22/h2-7H,8-9H2,1H3,(H2,17,22)