2-[2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine

Systemtic Name: 2-[2-[[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine Openeye Name: 2-[2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine CAS Name: 2-[2-[[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethyl]pyridine IUPAC Name: 2-[2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridine Traditional Name: 2-[2-[[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethyl]pyridine Formula: C21H19N5S MolecularWeight: 373.47406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCC3=CC=CC=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCC3=CC=CC=N3)C4=CN=CC=C4

InChI

InChI=1S/C21H19N5S/c1-2-7-17(8-3-1)16-26-20(18-9-6-12-22-15-18)24-25-21(26)27-14-11-19-10-4-5-13-23-19/h1-10,12-13,15H,11,14,16H2