ethyl 2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetate CAS Name: 2-[4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(4-benzyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetate Traditional Name: 2-(4-benzyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetic acid ethyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NNC(=S)N1CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1=NNC(=S)N1CC2=CC=CC=C2

InChI

InChI=1S/C13H15N3O2S/c1-2-18-12(17)8-11-14-15-13(19)16(11)9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,19)