2-methylsulfanyl-1,3-benzothiazole; 2-propylsulfanyl-1,3-benzothiazole

Systemtic Name: 2-methylsulfanyl-1,3-benzothiazole; 2-propylsulfanyl-1,3-benzothiazole Openeye Name: 2-methylsulfanyl-1,3-benzothiazole; 2-propylsulfanyl-1,3-benzothiazole CAS Name: 2-(methylthio)-1,3-benzothiazole; 2-(propylthio)-1,3-benzothiazole IUPAC Name: 2-methylsulfanyl-1,3-benzothiazole; 2-propylsulfanyl-1,3-benzothiazole Traditional Name: 2-(methylthio)-1,3-benzothiazole; 2-(propylthio)-1,3-benzothiazole Formula: C18H18N2S4 MolecularWeight: 390.60892

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=CC=CC=C2S1.CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCSC1=NC2=CC=CC=C2S1.CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C10H11NS2.C8H7NS2/c1-2-7-12-10-11-8-5-3-4-6-9(8)13-10;1-10-8-9-6-4-2-3-5-7(6)11-8/h3-6H,2,7H2,1H3;2-5H,1H3