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

Systemtic Name: 3-[3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[(2-methyl-3-nitrophenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[(2-methyl-3-nitrophenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[(2-methyl-3-nitro-benzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C17H17N5O3S2/c1-11-12(4-2-5-13(11)22(24)25)10-27-17-20-19-16(14-6-3-9-26-14)21(17)8-7-15(18)23/h2-6,9H,7-8,10H2,1H3,(H2,18,23)