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

Systemtic Name: 3-[(4-methyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(5-isopropylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-methyl-5-(propan-2-ylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(4-methyl-5-propan-2-ylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(isopropylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C14H16N4OS2 MolecularWeight: 320.43304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(N1C)CN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CC(C)SC1=NN=C(N1C)CN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C14H16N4OS2/c1-9(2)20-13-16-15-12(17(13)3)8-18-10-6-4-5-7-11(10)21-14(18)19/h4-7,9H,8H2,1-3H3