phenyl N-cyano-N'-[4-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]carbamimidate

Systemtic Name: phenyl N-cyano-N'-[4-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]carbamimidate Openeye Name: 1-cyano-3-[4-(1-methyltetrazol-5-yl)phenyl]-2-phenyl-isourea CAS Name: N-cyano-N'-[4-(1-methyl-5-tetrazolyl)phenyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[4-(1-methyltetrazol-5-yl)phenyl]carbamimidate Traditional Name: 1-cyano-3-[4-(1-methyltetrazol-5-yl)phenyl]-2-phenyl-isourea Formula: C16H13N7O MolecularWeight: 319.32072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)C2=CC=C(C=C2)N=C(NC#N)OC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=N1)C2=CC=C(C=C2)N=C(NC#N)OC3=CC=CC=C3

InChI

InChI=1S/C16H13N7O/c1-23-15(20-21-22-23)12-7-9-13(10-8-12)19-16(18-11-17)24-14-5-3-2-4-6-14/h2-10H,1H3,(H,18,19)