N-[2-methyl-1-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]thiophene-2-carboxamide

Systemtic Name: N-[2-methyl-1-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]thiophene-2-carboxamide Openeye Name: N-[1-[4-allyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-2-methyl-propyl]thiophene-2-carboxamide CAS Name: N-[2-methyl-1-[5-[(4-nitrophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]-2-thiophenecarboxamide IUPAC Name: N-[2-methyl-1-[5-[(4-nitrophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]propyl]thiophene-2-carboxamide Traditional Name: N-[1-[4-allyl-5-[(4-nitrobenzyl)thio]-1,2,4-triazol-3-yl]-2-methyl-propyl]thiophene-2-carboxamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=NN=C(N1CC=C)SCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)C(C1=NN=C(N1CC=C)SCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H23N5O3S2/c1-4-11-25-19(18(14(2)3)22-20(27)17-6-5-12-30-17)23-24-21(25)31-13-15-7-9-16(10-8-15)26(28)29/h4-10,12,14,18H,1,11,13H2,2-3H3,(H,22,27)