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

Systemtic Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C14H10N4S3 MolecularWeight: 330.451

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CSC3=NNC(=N3)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CSC3=NNC(=N3)C4=CC=CS4

InChI

InChI=1S/C14H10N4S3/c1-2-5-10-9(4-1)15-12(21-10)8-20-14-16-13(17-18-14)11-6-3-7-19-11/h1-7H,8H2,(H,16,17,18)