5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Openeye Name: N-allyl-5-(1,3-benzoxazol-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-(1,3-benzoxazol-2-ylmethylthio)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-(1,3-benzoxazol-2-ylmethylsulfanyl)-N-prop-2-enyl-1,3,4-thiadiazol-2-amine Traditional Name: allyl-[5-(1,3-benzoxazol-2-ylmethylthio)-1,3,4-thiadiazol-2-yl]amine Formula: C13H12N4OS2 MolecularWeight: 304.39058

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3O2

Isomeric SMILES

C=CCNC1=NN=C(S1)SCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C13H12N4OS2/c1-2-7-14-12-16-17-13(20-12)19-8-11-15-9-5-3-4-6-10(9)18-11/h2-6H,1,7-8H2,(H,14,16)