(2-azanyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-6-yl) thiocyanate

Systemtic Name: (2-azanyl-4-methyl-7-propan-2-yl-1,3-benzothiazol-6-yl) thiocyanate Openeye Name: (2-amino-7-isopropyl-4-methyl-1,3-benzothiazol-6-yl) thiocyanate CAS Name: thiocyanic acid (2-amino-4-methyl-7-propan-2-yl-1,3-benzothiazol-6-yl) ester IUPAC Name: (2-amino-4-methyl-7-propan-2-yl-1,3-benzothiazol-6-yl) thiocyanate Traditional Name: thiocyanic acid (2-amino-7-isopropyl-4-methyl-1,3-benzothiazol-6-yl) ester Formula: C12H13N3S2 MolecularWeight: 263.38172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1N=C(S2)N)C(C)C)SC#N

Isomeric SMILES

CC1=CC(=C(C2=C1N=C(S2)N)C(C)C)SC#N

InChI

InChI=1S/C12H13N3S2/c1-6(2)9-8(16-5-13)4-7(3)10-11(9)17-12(14)15-10/h4,6H,1-3H3,(H2,14,15)