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

Systemtic Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole Formula: C16H14N4S3 MolecularWeight: 358.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)C4=CC=CS4

InChI

InChI=1S/C16H14N4S3/c1-2-20-15(13-8-5-9-21-13)18-19-16(20)22-10-14-17-11-6-3-4-7-12(11)23-14/h3-9H,2,10H2,1H3