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

Systemtic Name: 6-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-s-triazin-2-yl]amine Formula: C18H22N8S MolecularWeight: 382.48588

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C18H22N8S/c19-16-21-14(22-17(20)24-16)11-27-18-23-15(12-7-3-1-4-8-12)26(25-18)13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H4,19,20,21,22,24)