N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine

Systemtic Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-amine Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1,1-dioxo-1,2-benzothiazol-3-amine CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-1,1-dioxo-1,2-benzothiazol-3-amine IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-1,1-dioxo-1,2-benzothiazol-3-amine Traditional Name: [5-(butylthio)-1,3,4-thiadiazol-2-yl]-(1,1-diketo-1,2-benzothiazol-3-yl)amine Formula: C13H14N4O2S3 MolecularWeight: 354.47086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCSC1=NN=C(S1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C13H14N4O2S3/c1-2-3-8-20-13-16-15-12(21-13)14-11-9-6-4-5-7-10(9)22(18,19)17-11/h4-7H,2-3,8H2,1H3,(H,14,15,17)