N2-phenyl-6-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-phenyl-6-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-phenyl-6-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-6-amino-s-triazin-2-yl]-phenyl-amine Formula: C21H20N8S MolecularWeight: 416.5021

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C21H20N8S/c1-2-13-29-18(15-9-5-3-6-10-15)27-28-21(29)30-14-17-24-19(22)26-20(25-17)23-16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H3,22,23,24,25,26)