ethyl 4-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: ethyl 4-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: ethyl 4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid ethyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-2-24-17(23)15-10-8-13(9-11-15)12-25-18-21-20-16(22(18)19)14-6-4-3-5-7-14/h3-11H,2,12,19H2,1H3