6-methylsulfonyl-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole

Systemtic Name: 6-methylsulfonyl-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole Openeye Name: 6-methylsulfonyl-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole CAS Name: 6-methylsulfonyl-2-[(3-propyl-1,2,4-triazol-1-yl)thio]-1,3-benzothiazole IUPAC Name: 6-methylsulfonyl-2-[(3-propyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-benzothiazole Traditional Name: 6-mesyl-2-[(3-propyl-1,2,4-triazol-1-yl)thio]-1,3-benzothiazole Formula: C13H14N4O2S3 MolecularWeight: 354.47086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCCC1=NN(C=N1)SC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C13H14N4O2S3/c1-3-4-12-14-8-17(16-12)21-13-15-10-6-5-9(22(2,18)19)7-11(10)20-13/h5-8H,3-4H2,1-2H3