2-azanyl-5-(5-azanyl-1,2,3,4-tetrazol-1-yl)-4-(3-iodanylphenyl)-6-methyl-4H-pyran-3-carbonitrile

Systemtic Name: 2-azanyl-5-(5-azanyl-1,2,3,4-tetrazol-1-yl)-4-(3-iodanylphenyl)-6-methyl-4H-pyran-3-carbonitrile Openeye Name: 2-amino-5-(5-aminotetrazol-1-yl)-4-(3-iodophenyl)-6-methyl-4H-pyran-3-carbonitrile CAS Name: 2-amino-5-(5-amino-1-tetrazolyl)-4-(3-iodophenyl)-6-methyl-4H-pyran-3-carbonitrile IUPAC Name: 2-amino-5-(5-aminotetrazol-1-yl)-4-(3-iodophenyl)-6-methyl-4H-pyran-3-carbonitrile Traditional Name: 2-amino-5-(5-aminotetrazol-1-yl)-4-(3-iodophenyl)-6-methyl-4H-pyran-3-carbonitrile Formula: C14H12IN7O MolecularWeight: 421.19585

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)I)N3C(=NN=N3)N

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=CC=C2)I)N3C(=NN=N3)N

InChI

InChI=1S/C14H12IN7O/c1-7-12(22-14(18)19-20-21-22)11(10(6-16)13(17)23-7)8-3-2-4-9(15)5-8/h2-5,11H,17H2,1H3,(H2,18,19,21)