N2-phenyl-6-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-phenyl-6-[[1-(4-propan-2-ylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[1-(4-isopropylphenyl)tetrazol-5-yl]sulfanylmethyl]-N2-phenyl-1,3,5-triazine-2,4-diamine CAS Name: N2-phenyl-6-[[[1-(4-propan-2-ylphenyl)-5-tetrazolyl]thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-phenyl-6-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(1-p-cumenyltetrazol-5-yl)thio]methyl]-s-triazin-2-yl]-phenyl-amine Formula: C20H21N9S MolecularWeight: 419.50604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C20H21N9S/c1-13(2)14-8-10-16(11-9-14)29-20(26-27-28-29)30-12-17-23-18(21)25-19(24-17)22-15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H3,21,22,23,24,25)