(5-azanyl-2-methyl-1,3-benzothiazol-4-yl) thiocyanate

Systemtic Name: (5-azanyl-2-methyl-1,3-benzothiazol-4-yl) thiocyanate Openeye Name: (5-amino-2-methyl-1,3-benzothiazol-4-yl) thiocyanate CAS Name: thiocyanic acid (5-amino-2-methyl-1,3-benzothiazol-4-yl) ester IUPAC Name: (5-amino-2-methyl-1,3-benzothiazol-4-yl) thiocyanate Traditional Name: thiocyanic acid (5-amino-2-methyl-1,3-benzothiazol-4-yl) ester Formula: C9H7N3S2 MolecularWeight: 221.30198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2SC#N)N

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2SC#N)N

InChI

InChI=1S/C9H7N3S2/c1-5-12-8-7(14-5)3-2-6(11)9(8)13-4-10/h2-3H,11H2,1H3