4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one

Systemtic Name: 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Openeye Name: 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 4-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 4-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]butan-2-one Traditional Name: 4-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]butan-2-one Formula: C16H18N4OS3 MolecularWeight: 378.53532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC(=O)C)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN1C(=NN=C1SCCC(=O)C)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H18N4OS3/c1-3-20-14(18-19-15(20)22-9-8-11(2)21)10-23-16-17-12-6-4-5-7-13(12)24-16/h4-7H,3,8-10H2,1-2H3