(2-azanyl-5-methyl-1,3-benzothiazol-6-yl) thiocyanate

Systemtic Name: (2-azanyl-5-methyl-1,3-benzothiazol-6-yl) thiocyanate Openeye Name: (2-amino-5-methyl-1,3-benzothiazol-6-yl) thiocyanate CAS Name: thiocyanic acid (2-amino-5-methyl-1,3-benzothiazol-6-yl) ester IUPAC Name: (2-amino-5-methyl-1,3-benzothiazol-6-yl) thiocyanate Traditional Name: thiocyanic acid (2-amino-5-methyl-1,3-benzothiazol-6-yl) ester Formula: C9H7N3S2 MolecularWeight: 221.30198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1SC#N)SC(=N2)N

Isomeric SMILES

CC1=CC2=C(C=C1SC#N)SC(=N2)N

InChI

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