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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C2=C1SC(=N2)N)C(C)C)SC#N

Isomeric SMILES

CC1=C(C=C(C2=C1SC(=N2)N)C(C)C)SC#N

InChI

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