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

Systemtic Name: 4-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine Openeye Name: 4-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine CAS Name: 4-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]pyridine IUPAC Name: 4-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridine Traditional Name: 4-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethyl]pyridine Formula: C20H18N4S2 MolecularWeight: 378.51372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCCC3=CC=NC=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCCC3=CC=NC=C3)C4=CC=CS4

InChI

InChI=1S/C20H18N4S2/c1-2-5-17(6-3-1)15-24-19(18-7-4-13-25-18)22-23-20(24)26-14-10-16-8-11-21-12-9-16/h1-9,11-13H,10,14-15H2