(phenylmethyl) 2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[[5-phenyl-4-(1-pyrrolyl)-1,2,4-triazol-3-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-phenyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)thio]acetic acid benzyl ester Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CSC2=NN=C(N2N3C=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c26-19(27-15-17-9-3-1-4-10-17)16-28-21-23-22-20(18-11-5-2-6-12-18)25(21)24-13-7-8-14-24/h1-14H,15-16H2