4-(5-methylsulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline

Systemtic Name: 4-(5-methylsulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline Openeye Name: 4-[5-methylsulfanyl-3-(4-pyridyl)-1,2,4-triazol-1-yl]-N-[(3-methyl-2-thienyl)methyl]aniline CAS Name: N-[(3-methyl-2-thiophenyl)methyl]-4-[5-(methylthio)-3-pyridin-4-yl-1,2,4-triazol-1-yl]aniline IUPAC Name: 4-(5-methylsulfanyl-3-pyridin-4-yl-1,2,4-triazol-1-yl)-N-[(3-methylthiophen-2-yl)methyl]aniline Traditional Name: (3-methyl-2-thienyl)methyl-[4-[5-(methylthio)-3-(4-pyridyl)-1,2,4-triazol-1-yl]phenyl]amine Formula: C20H19N5S2 MolecularWeight: 393.52836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC2=CC=C(C=C2)N3C(=NC(=N3)C4=CC=NC=C4)SC

Isomeric SMILES

CC1=C(SC=C1)CNC2=CC=C(C=C2)N3C(=NC(=N3)C4=CC=NC=C4)SC

InChI

InChI=1S/C20H19N5S2/c1-14-9-12-27-18(14)13-22-16-3-5-17(6-4-16)25-20(26-2)23-19(24-25)15-7-10-21-11-8-15/h3-12,22H,13H2,1-2H3