2-[(5-azanyl-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)ethanenitrile

Systemtic Name: 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)ethanenitrile Openeye Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)acetonitrile CAS Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)acetonitrile IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)acetonitrile Traditional Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)amino]-2-(1,3-benzodioxol-5-yl)acetonitrile Formula: C11H9N5O2S MolecularWeight: 275.28646

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C#N)NC3=NN=C(S3)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C#N)NC3=NN=C(S3)N

InChI

InChI=1S/C11H9N5O2S/c12-4-7(14-11-16-15-10(13)19-11)6-1-2-8-9(3-6)18-5-17-8/h1-3,7H,5H2,(H2,13,15)(H,14,16)