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

Systemtic Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[[4-methyl-5-(2-thenyl)-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:

CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC2=NC3=CC=CC=C3S2)CC4=CC=CS4

InChI

InChI=1S/C16H14N4S3/c1-20-14(9-11-5-4-8-21-11)18-19-16(20)22-10-15-17-12-6-2-3-7-13(12)23-15/h2-8H,9-10H2,1H3