N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-5-nitro-benzothiophene-2-carboxamide Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NN=C(N2C1)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=NN=C(N2C1)CNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O3S/c21-15(16-8-14-18-17-13-2-1-5-19(13)14)12-7-9-6-10(20(22)23)3-4-11(9)24-12/h3-4,6-7H,1-2,5,8H2,(H,16,21)