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

Systemtic Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-phenyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C21H15N5S2 MolecularWeight: 401.5073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CN=CC=C5

InChI

InChI=1S/C21H15N5S2/c1-2-8-16(9-3-1)26-20(15-7-6-12-22-13-15)24-25-21(26)27-14-19-23-17-10-4-5-11-18(17)28-19/h1-13H,14H2