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

Systemtic Name: 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[4-(3-nitro-1,2,4-triazol-1-yl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[4-(3-nitro-1,2,4-triazol-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H18N6O4S MolecularWeight: 378.40622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCN3C=NC(=N3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCN3C=NC(=N3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C15H18N6O4S/c16-13(23)12-9-4-1-2-5-10(9)26-14(12)18-11(22)6-3-7-20-8-17-15(19-20)21(24)25/h8H,1-7H2,(H2,16,23)(H,18,22)