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

Systemtic Name: 2-[2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[3-amino-5-(ethylthio)-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-ethylsulfanyl-1,2,4-triazol-4-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H24N6O2S2 MolecularWeight: 408.54146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)N3C(=NN=C3SCC)N

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)N)N3C(=NN=C3SCC)N

InChI

InChI=1S/C17H24N6O2S2/c1-3-10(23-16(19)21-22-17(23)26-4-2)14(25)20-15-12(13(18)24)9-7-5-6-8-11(9)27-15/h10H,3-8H2,1-2H3,(H2,18,24)(H2,19,21)(H,20,25)