2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H20N6O2S2 MolecularWeight: 380.4883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)N3C(=NN=C3SC)N

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)N3C(=NN=C3SC)N

InChI

InChI=1S/C15H20N6O2S2/c1-7(21-14(17)19-20-15(21)24-2)12(23)18-13-10(11(16)22)8-5-3-4-6-9(8)25-13/h7H,3-6H2,1-2H3,(H2,16,22)(H2,17,19)(H,18,23)