ethyl 2-[(5-azanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate

Systemtic Name: ethyl 2-[(5-azanyl-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: ethyl 2-[[5-amino-4-(1-naphthyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-amino-4-(1-naphthalenyl)-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5-amino-4-naphthalen-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[[5-amino-4-(1-naphthyl)-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC3=CC=CC=C32)N

Isomeric SMILES

CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC3=CC=CC=C32)N

InChI

InChI=1S/C17H18N4O2S/c1-3-23-15(22)11(2)24-17-20-19-16(18)21(17)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3H2,1-2H3,(H2,18,19)