1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; 4-oxidanylbenzoic acid

Systemtic Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; 4-oxidanylbenzoic acid Openeye Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; 4-hydroxybenzoic acid CAS Name: 4-hydroxybenzoic acid; thiocyanic acid (1,3-benzothiazol-2-ylthio)methyl ester IUPAC Name: 1,3-benzothiazol-2-ylsulfanylmethyl thiocyanate; 4-hydroxybenzoic acid Traditional Name: 4-hydroxybenzoic acid; thiocyanic acid (1,3-benzothiazol-2-ylthio)methyl ester Formula: C16H12N2O3S3 MolecularWeight: 376.47308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCSC#N.C1=CC(=CC=C1C(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCSC#N.C1=CC(=CC=C1C(=O)O)O

InChI

InChI=1S/C9H6N2S3.C7H6O3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9;8-6-3-1-5(2-4-6)7(9)10/h1-4H,6H2;1-4,8H,(H,9,10)