2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-(3-azanyl-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[2-(3-amino-5-phenethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[2-[3-amino-5-(phenethylthio)-1,2,4-triazol-4-yl]butanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C21H26N6O2S2 MolecularWeight: 458.60014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)N)N2C(=NN=C2SCCC3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)N)N2C(=NN=C2SCCC3=CC=CC=C3)N

InChI

InChI=1S/C21H26N6O2S2/c1-4-15(18(29)24-19-16(17(22)28)12(2)13(3)31-19)27-20(23)25-26-21(27)30-11-10-14-8-6-5-7-9-14/h5-9,15H,4,10-11H2,1-3H3,(H2,22,28)(H2,23,25)(H,24,29)