N,N-dimethyl-4-[[3-(phenylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]iminomethyl]aniline

Systemtic Name: N,N-dimethyl-4-[[3-(phenylmethylsulfanyl)-5-pyridin-4-yl-1,2,4-triazol-4-yl]iminomethyl]aniline Openeye Name: 4-[[3-benzylsulfanyl-5-(4-pyridyl)-1,2,4-triazol-4-yl]iminomethyl]-N,N-dimethyl-aniline CAS Name: N,N-dimethyl-4-[[3-(phenylmethylthio)-5-pyridin-4-yl-1,2,4-triazol-4-yl]iminomethyl]aniline IUPAC Name: 4-[(3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-yl)iminomethyl]-N,N-dimethylaniline Traditional Name: [4-[[3-(benzylthio)-5-(4-pyridyl)-1,2,4-triazol-4-yl]iminomethyl]phenyl]-dimethyl-amine Formula: C23H22N6S MolecularWeight: 414.52598

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=NN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C=NN2C(=NN=C2SCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H22N6S/c1-28(2)21-10-8-18(9-11-21)16-25-29-22(20-12-14-24-15-13-20)26-27-23(29)30-17-19-6-4-3-5-7-19/h3-16H,17H2,1-2H3