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

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(1H-1,2,4-triazol-5-yl)benzenecarboximidate Formula: C18H16N5O3S- MolecularWeight: 382.41634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3S/c24-17(21-18-19-12-20-22-18)14-6-3-7-16(10-14)27(25,26)23-9-8-13-4-1-2-5-15(13)11-23/h1-7,10,12H,8-9,11H2,(H2,19,20,21,22,24)/p-1