methyl N'-(phenylmethyl)-N-(1,2,4-triazol-4-yl)carbamimidate

Systemtic Name: methyl N'-(phenylmethyl)-N-(1,2,4-triazol-4-yl)carbamimidate Openeye Name: 3-benzyl-2-methyl-1-(1,2,4-triazol-4-yl)isourea CAS Name: N'-(phenylmethyl)-N-(1,2,4-triazol-4-yl)carbamimidic acid methyl ester IUPAC Name: methyl N'-benzyl-N-(1,2,4-triazol-4-yl)carbamimidate Traditional Name: 3-benzyl-2-methyl-1-(1,2,4-triazol-4-yl)isourea Formula: C11H13N5O MolecularWeight: 231.25382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=NCC1=CC=CC=C1)NN2C=NN=C2

Isomeric SMILES

COC(=NCC1=CC=CC=C1)NN2C=NN=C2

InChI

InChI=1S/C11H13N5O/c1-17-11(15-16-8-13-14-9-16)12-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,12,15)