4-[3-[2-(7-methyl-1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine

Systemtic Name: 4-[3-[2-(7-methyl-1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine Openeye Name: 4-[3-[2-(7-methyl-1H-indol-3-yl)ethylsulfanyl]-5-(2-quinolyl)-1,2,4-triazol-4-yl]butan-1-amine CAS Name: 4-[3-[2-(7-methyl-1H-indol-3-yl)ethylthio]-5-(2-quinolinyl)-1,2,4-triazol-4-yl]-1-butanamine IUPAC Name: 4-[3-[2-(7-methyl-1H-indol-3-yl)ethylsulfanyl]-5-quinolin-2-yl-1,2,4-triazol-4-yl]butan-1-amine Traditional Name: 4-[3-[2-(7-methyl-1H-indol-3-yl)ethylthio]-5-(2-quinolyl)-1,2,4-triazol-4-yl]butylamine Formula: C26H28N6S MolecularWeight: 456.60572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC=C2CCSC3=NN=C(N3CCCCN)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=CC2=C1NC=C2CCSC3=NN=C(N3CCCCN)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H28N6S/c1-18-7-6-9-21-20(17-28-24(18)21)13-16-33-26-31-30-25(32(26)15-5-4-14-27)23-12-11-19-8-2-3-10-22(19)29-23/h2-3,6-12,17,28H,4-5,13-16,27H2,1H3