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

Systemtic Name: 2-[2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H22N6O2S2 MolecularWeight: 394.51488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N6O2S2/c1-3-9(22-15(18)20-21-16(22)25-2)13(24)19-14-11(12(17)23)8-6-4-5-7-10(8)26-14/h9H,3-7H2,1-2H3,(H2,17,23)(H2,18,20)(H,19,24)