5-phenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-benzothiazole hydrochloride

Systemtic Name: 5-phenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-benzothiazole hydrochloride Openeye Name: 5-phenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-benzothiazole hydrochloride CAS Name: 5-phenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-benzothiazole hydrochloride IUPAC Name: 5-phenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-benzothiazole hydrochloride Traditional Name: 5-phenyl-3-(1,2,4-triazol-1-ylmethyl)-1,2-benzothiazole hydrochloride Formula: C16H13ClN4S MolecularWeight: 328.81922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)SN=C3CN4C=NC=N4.Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)SN=C3CN4C=NC=N4.Cl

InChI

InChI=1S/C16H12N4S.ClH/c1-2-4-12(5-3-1)13-6-7-16-14(8-13)15(19-21-16)9-20-11-17-10-18-20;/h1-8,10-11H,9H2;1H