N,N-diethyl-4-[4-methyl-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-3-yl]aniline

Systemtic Name: N,N-diethyl-4-[4-methyl-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-3-yl]aniline Openeye Name: N,N-diethyl-4-[4-methyl-5-(8-quinolylmethylsulfanyl)-1,2,4-triazol-3-yl]aniline CAS Name: N,N-diethyl-4-[4-methyl-5-(8-quinolinylmethylthio)-1,2,4-triazol-3-yl]aniline IUPAC Name: N,N-diethyl-4-[4-methyl-5-(quinolin-8-ylmethylsulfanyl)-1,2,4-triazol-3-yl]aniline Traditional Name: diethyl-[4-[4-methyl-5-(8-quinolylmethylthio)-1,2,4-triazol-3-yl]phenyl]amine Formula: C23H25N5S MolecularWeight: 403.5431

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H25N5S/c1-4-28(5-2)20-13-11-18(12-14-20)22-25-26-23(27(22)3)29-16-19-9-6-8-17-10-7-15-24-21(17)19/h6-15H,4-5,16H2,1-3H3