4-[4-(phenylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine

Systemtic Name: 4-[4-(phenylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine Openeye Name: 4-[4-benzyl-5-[(E)-cinnamyl]sulfanyl-1,2,4-triazol-3-yl]pyridine CAS Name: 4-[4-(phenylmethyl)-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazol-3-yl]pyridine IUPAC Name: 4-[4-benzyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine Traditional Name: 4-[4-benzyl-5-[[(E)-cinnamyl]thio]-1,2,4-triazol-3-yl]pyridine Formula: C23H20N4S MolecularWeight: 384.4967

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC=CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SC/C=C/C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H20N4S/c1-3-8-19(9-4-1)12-7-17-28-23-26-25-22(21-13-15-24-16-14-21)27(23)18-20-10-5-2-6-11-20/h1-16H,17-18H2/b12-7+