2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C22H17N5S2 MolecularWeight: 415.53388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=NC=C5

InChI

InChI=1S/C22H17N5S2/c1-2-6-16(7-3-1)14-27-21(17-10-12-23-13-11-17)25-26-22(27)28-15-20-24-18-8-4-5-9-19(18)29-20/h1-13H,14-15H2