5-chloranyl-N-[[1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,3-triazol-4-yl]methyl]thiophene-2-carboxamide

Systemtic Name: 5-chloranyl-N-[[1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-1,2,3-triazol-4-yl]methyl]thiophene-2-carboxamide Openeye Name: 5-chloro-N-[[1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)triazol-4-yl]methyl]thiophene-2-carboxamide CAS Name: 5-chloro-N-[[1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-4-triazolyl]methyl]-2-thiophenecarboxamide IUPAC Name: 5-chloro-N-[[1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)triazol-4-yl]methyl]thiophene-2-carboxamide Traditional Name: 5-chloro-N-[[1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)triazol-4-yl]methyl]thiophene-2-carboxamide Formula: C18H18ClN5OS MolecularWeight: 387.88642

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C1)C=CC(=C2)N3C=C(N=N3)CNC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CN1CCC2=C(C1)C=CC(=C2)N3C=C(N=N3)CNC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C18H18ClN5OS/c1-23-7-6-12-8-15(3-2-13(12)10-23)24-11-14(21-22-24)9-20-18(25)16-4-5-17(19)26-16/h2-5,8,11H,6-7,9-10H2,1H3,(H,20,25)