5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboximidate

Systemtic Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboximidate Openeye Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboximidate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)-3-thiophenecarboximidate IUPAC Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboximidate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)thiophene-3-carboximidate Formula: C16H14N5O3S2- MolecularWeight: 388.44406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=CS3)C(=NC4=NC=NN4)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC(=CS3)C(=NC4=NC=NN4)[O-]

InChI

InChI=1S/C16H15N5O3S2/c22-15(19-16-17-10-18-20-16)13-7-14(25-9-13)26(23,24)21-6-5-11-3-1-2-4-12(11)8-21/h1-4,7,9-10H,5-6,8H2,(H2,17,18,19,20,22)/p-1