3-[[4-(4-azanylbutyl)-5-quinolin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(7-methyl-1H-indol-3-yl)propan-1-one

Systemtic Name: 3-[[4-(4-azanylbutyl)-5-quinolin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(7-methyl-1H-indol-3-yl)propan-1-one Openeye Name: 3-[[4-(4-aminobutyl)-5-(2-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(7-methyl-1H-indol-3-yl)propan-1-one CAS Name: 3-[[4-(4-aminobutyl)-5-(2-quinolinyl)-1,2,4-triazol-3-yl]thio]-1-(7-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: 3-[[4-(4-aminobutyl)-5-quinolin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(7-methyl-1H-indol-3-yl)propan-1-one Traditional Name: 3-[[4-(4-aminobutyl)-5-(2-quinolyl)-1,2,4-triazol-3-yl]thio]-1-(7-methyl-1H-indol-3-yl)propan-1-one Formula: C27H28N6OS MolecularWeight: 484.61582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC=C2C(=O)CCSC3=NN=C(N3CCCCN)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=CC2=C1NC=C2C(=O)CCSC3=NN=C(N3CCCCN)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H28N6OS/c1-18-7-6-9-20-21(17-29-25(18)20)24(34)13-16-35-27-32-31-26(33(27)15-5-4-14-28)23-12-11-19-8-2-3-10-22(19)30-23/h2-3,6-12,17,29H,4-5,13-16,28H2,1H3