1,3-benzothiazol-2-ylmethyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate CAS Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H14N4O2S2 MolecularWeight: 382.45936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C18H14N4O2S2/c23-17(24-9-16-21-14-3-1-2-4-15(14)26-16)13-7-5-12(6-8-13)10-25-18-19-11-20-22-18/h1-8,11H,9-10H2,(H,19,20,22)