1-(3-azanyl-1,2,4-triazol-4-yl)-4-phenoxy-butan-1-one

Systemtic Name: 1-(3-azanyl-1,2,4-triazol-4-yl)-4-phenoxy-butan-1-one Openeye Name: 1-(3-amino-1,2,4-triazol-4-yl)-4-phenoxy-butan-1-one CAS Name: 1-(3-amino-1,2,4-triazol-4-yl)-4-phenoxy-1-butanone IUPAC Name: 1-(3-amino-1,2,4-triazol-4-yl)-4-phenoxybutan-1-one Traditional Name: 1-(3-amino-1,2,4-triazol-4-yl)-4-phenoxy-butan-1-one Formula: C12H14N4O2 MolecularWeight: 246.26516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCC(=O)N2C=NN=C2N

Isomeric SMILES

C1=CC=C(C=C1)OCCCC(=O)N2C=NN=C2N

InChI

InChI=1S/C12H14N4O2/c13-12-15-14-9-16(12)11(17)7-4-8-18-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,13,15)