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

Systemtic Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-oct-1-ynyl-pyridine Openeye Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-oct-1-ynyl-pyridine CAS Name: 3-[5-[(4-chlorophenyl)methylthio]-4-methyl-1,2,4-triazol-3-yl]-5-oct-1-ynylpyridine IUPAC Name: 3-[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]-5-oct-1-ynylpyridine Traditional Name: 3-[5-[(4-chlorobenzyl)thio]-4-methyl-1,2,4-triazol-3-yl]-5-oct-1-ynyl-pyridine Formula: C23H25ClN4S MolecularWeight: 424.9894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4S/c1-3-4-5-6-7-8-9-19-14-20(16-25-15-19)22-26-27-23(28(22)2)29-17-18-10-12-21(24)13-11-18/h10-16H,3-7,17H2,1-2H3