1-phenyl-N-[[(4Z)-4-[(5Z)-5-pyrrol-3-ylidene-1,2,3-triazolidin-4-ylidene]pyrrol-2-yl]methyl]methanamine

Systemtic Name: 1-phenyl-N-[[(4Z)-4-[(5Z)-5-pyrrol-3-ylidene-1,2,3-triazolidin-4-ylidene]pyrrol-2-yl]methyl]methanamine Openeye Name: 1-phenyl-N-[[(4Z)-4-[(5Z)-5-pyrrol-3-ylidenetriazolidin-4-ylidene]pyrrol-2-yl]methyl]methanamine CAS Name: 1-phenyl-N-[[(4Z)-4-[(5Z)-5-(3-pyrrolylidene)-4-triazolidinylidene]-2-pyrrolyl]methyl]methanamine IUPAC Name: 1-phenyl-N-[[(4Z)-4-[(5Z)-5-pyrrol-3-ylidenetriazolidin-4-ylidene]pyrrol-2-yl]methyl]methanamine Traditional Name: benzyl-[[(4Z)-4-[(5Z)-5-pyrrol-3-ylidenetriazolidin-4-ylidene]pyrrol-2-yl]methyl]amine Formula: C18H18N6 MolecularWeight: 318.37572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCC2=CC(=C3C(=C4C=CN=C4)NNN3)C=N2

Isomeric SMILES

C1=CC=C(C=C1)CNCC2=C/C(=C/3\C(=C\4/C=CN=C4)\NNN3)/C=N2

InChI

InChI=1S/C18H18N6/c1-2-4-13(5-3-1)9-20-12-16-8-15(11-21-16)18-17(22-24-23-18)14-6-7-19-10-14/h1-8,10-11,20,22-24H,9,12H2/b17-14-,18-15-