4-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl 4-chloranylbenzoate

Systemtic Name: 4-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl 4-chloranylbenzoate Openeye Name: 4-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 4-[(2-phenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(2-phenyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 4-[(2-phenyl-1,2,4-triazol-3-yl)thio]but-2-ynyl ester Formula: C19H14ClN3O2S MolecularWeight: 383.85136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC=N2)SCC#CCOC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC=N2)SCC#CCOC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H14ClN3O2S/c20-16-10-8-15(9-11-16)18(24)25-12-4-5-13-26-19-21-14-22-23(19)17-6-2-1-3-7-17/h1-3,6-11,14H,12-13H2