(Z)-3-azanyl-2-[1-(benzotriazol-1-yl)ethyl]but-2-enenitrile

Systemtic Name: (Z)-3-azanyl-2-[1-(benzotriazol-1-yl)ethyl]but-2-enenitrile Openeye Name: (Z)-3-amino-2-[1-(benzotriazol-1-yl)ethyl]but-2-enenitrile CAS Name: (Z)-3-amino-2-[1-(1-benzotriazolyl)ethyl]-2-butenenitrile IUPAC Name: (Z)-3-amino-2-[1-(benzotriazol-1-yl)ethyl]but-2-enenitrile Traditional Name: (Z)-3-amino-2-[1-(benzotriazol-1-yl)ethyl]but-2-enenitrile Formula: C12H13N5 MolecularWeight: 227.26512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=C(C)N)C#N)N1C2=CC=CC=C2N=N1

Isomeric SMILES

CC(/C(=C(\C)/N)/C#N)N1C2=CC=CC=C2N=N1

InChI

InChI=1S/C12H13N5/c1-8(14)10(7-13)9(2)17-12-6-4-3-5-11(12)15-16-17/h3-6,9H,14H2,1-2H3/b10-8+