3-[4-(2,6-diethylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 3-[4-(2,6-diethylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Openeye Name: 3-[4-(2,6-diethylphenyl)-5-(1-naphthylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine CAS Name: 3-[4-(2,6-diethylphenyl)-5-(1-naphthalenylmethylthio)-1,2,4-triazol-3-yl]pyridine IUPAC Name: 3-[4-(2,6-diethylphenyl)-5-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine Traditional Name: 3-[4-(2,6-diethylphenyl)-5-(1-naphthylmethylthio)-1,2,4-triazol-3-yl]pyridine Formula: C28H26N4S MolecularWeight: 450.59784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC3=CC=CC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C28H26N4S/c1-3-20-11-7-12-21(4-2)26(20)32-27(23-15-9-17-29-18-23)30-31-28(32)33-19-24-14-8-13-22-10-5-6-16-25(22)24/h5-18H,3-4,19H2,1-2H3