3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-5-oct-1-ynyl-pyridine

Systemtic Name: 3-[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-5-oct-1-ynyl-pyridine Openeye Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-5-oct-1-ynyl-pyridine CAS Name: 3-[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-5-oct-1-ynylpyridine IUPAC Name: 3-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-5-oct-1-ynylpyridine Traditional Name: 3-[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]-5-oct-1-ynyl-pyridine Formula: C23H26N4S MolecularWeight: 390.54434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC(=CN=C1)C2=NN=C(N2C)SCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC#CC1=CC(=CN=C1)C2=NN=C(N2C)SCC3=CC=CC=C3

InChI

InChI=1S/C23H26N4S/c1-3-4-5-6-7-9-14-20-15-21(17-24-16-20)22-25-26-23(27(22)2)28-18-19-12-10-8-11-13-19/h8,10-13,15-17H,3-7,18H2,1-2H3