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

Systemtic Name: 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[3-amino-5-(ethylthio)-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-ethylsulfanyl-1,2,4-triazol-4-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H22N6O2S2 MolecularWeight: 394.51488

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)N

Isomeric SMILES

CCSC1=NN=C(N1C(C)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)N

InChI

InChI=1S/C16H22N6O2S2/c1-3-25-16-21-20-15(18)22(16)8(2)13(24)19-14-11(12(17)23)9-6-4-5-7-10(9)26-14/h8H,3-7H2,1-2H3,(H2,17,23)(H2,18,20)(H,19,24)