methyl 1-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylate

Systemtic Name: methyl 1-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: methyl 1-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[[3-methyl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[(4-benzyl-3-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-[(4-benzyl-3-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCCC4=C(C=CC=C43)C(=O)OC

Isomeric SMILES

CC1=NN(C(=S)N1CC2=CC=CC=C2)CN3CCCC4=C(C=CC=C43)C(=O)OC

InChI

InChI=1S/C22H24N4O2S/c1-16-23-26(22(29)25(16)14-17-8-4-3-5-9-17)15-24-13-7-11-18-19(21(27)28-2)10-6-12-20(18)24/h3-6,8-10,12H,7,11,13-15H2,1-2H3