2-[[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-ethyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methylsulfanyl]-1,3-benzothiazole Openeye Name: 2-[(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole CAS Name: 2-[[4-ethyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole IUPAC Name: 2-[(5-benzylsulfanyl-4-ethyl-1,2,4-triazol-3-yl)methylsulfanyl]-1,3-benzothiazole Traditional Name: 2-[[5-(benzylthio)-4-ethyl-1,2,4-triazol-3-yl]methylthio]-1,3-benzothiazole Formula: C19H18N4S3 MolecularWeight: 398.56802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC=CC=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N4S3/c1-2-23-17(13-25-19-20-15-10-6-7-11-16(15)26-19)21-22-18(23)24-12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3