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

Systemtic Name: 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C20H14N4S3 MolecularWeight: 406.54696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=NC4=CC=CC=C4S3)C5=CC=CS5

InChI

InChI=1S/C20H14N4S3/c1-2-7-14(8-3-1)24-19(17-11-6-12-25-17)22-23-20(24)26-13-18-21-15-9-4-5-10-16(15)27-18/h1-12H,13H2