N,N-dimethyl-2-[3-[[4-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide

Systemtic Name: N,N-dimethyl-2-[3-[[4-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Openeye Name: N,N-dimethyl-2-[3-[[4-methyl-5-(4-methylthiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide CAS Name: N,N-dimethyl-2-[3-[[4-methyl-5-(4-methyl-5-thiazolyl)-1,2,4-triazol-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide IUPAC Name: N,N-dimethyl-2-[3-[[4-methyl-5-(4-methyl-1,3-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Traditional Name: N,N-dimethyl-2-[3-[[4-methyl-5-(4-methylthiazol-5-yl)-1,2,4-triazol-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline-7-sulfonamide Formula: C21H28N6O2S3 MolecularWeight: 492.68102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C2=NN=C(N2C)SCCCN3CCC4=C(C3)C=C(C=C4)S(=O)(=O)N(C)C

Isomeric SMILES

CC1=C(SC=N1)C2=NN=C(N2C)SCCCN3CCC4=C(C3)C=C(C=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C21H28N6O2S3/c1-15-19(31-14-22-15)20-23-24-21(26(20)4)30-11-5-9-27-10-8-16-6-7-18(12-17(16)13-27)32(28,29)25(2)3/h6-7,12,14H,5,8-11,13H2,1-4H3