3-[[4-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[4-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(5-isopentylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-methyl-5-(3-methylbutylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-methyl-5-(3-methylbutylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(isoamylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C16H20N4OS2 MolecularWeight: 348.4862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NN=C(N1C)CN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CC(C)CCSC1=NN=C(N1C)CN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C16H20N4OS2/c1-11(2)8-9-22-15-18-17-14(19(15)3)10-20-12-6-4-5-7-13(12)23-16(20)21/h4-7,11H,8-10H2,1-3H3