1,3-benzothiazol-2-ylmethyl 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C17H12N4O2S/c22-17(12-5-7-13(8-6-12)21-11-18-10-19-21)23-9-16-20-14-3-1-2-4-15(14)24-16/h1-8,10-11H,9H2