N4-methyl-6-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N4-methyl-6-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine Openeye Name: 6-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N2-isopropyl-N4-methyl-1,3,5-triazine-2,4-diamine CAS Name: N4-methyl-6-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]-N2-propan-2-yl-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-4-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine Traditional Name: [4-[3-(benzylthio)-1,2,4-triazol-1-yl]-6-(isopropylamino)-s-triazin-2-yl]-methyl-amine Formula: C16H20N8S MolecularWeight: 356.4486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC(=N1)NC)N2C=NC(=N2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)NC1=NC(=NC(=N1)NC)N2C=NC(=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H20N8S/c1-11(2)19-14-20-13(17-3)21-15(22-14)24-10-18-16(23-24)25-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H2,17,19,20,21,22)