1-(4-methylphenyl)-4-(5-pyridin-3-yl-1,2,3,4-tetrazol-2-yl)butan-1-one

Systemtic Name: 1-(4-methylphenyl)-4-(5-pyridin-3-yl-1,2,3,4-tetrazol-2-yl)butan-1-one Openeye Name: 1-(p-tolyl)-4-[5-(3-pyridyl)tetrazol-2-yl]butan-1-one CAS Name: 1-(4-methylphenyl)-4-[5-(3-pyridinyl)-2-tetrazolyl]-1-butanone IUPAC Name: 1-(4-methylphenyl)-4-(5-pyridin-3-yltetrazol-2-yl)butan-1-one Traditional Name: 1-(p-tolyl)-4-[5-(3-pyridyl)tetrazol-2-yl]butan-1-one Formula: C17H17N5O MolecularWeight: 307.34978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCCN2N=C(N=N2)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCCN2N=C(N=N2)C3=CN=CC=C3

InChI

InChI=1S/C17H17N5O/c1-13-6-8-14(9-7-13)16(23)5-3-11-22-20-17(19-21-22)15-4-2-10-18-12-15/h2,4,6-10,12H,3,5,11H2,1H3