N-ethyl-4-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

Systemtic Name: N-ethyl-4-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-6-piperidin-1-yl-1,3,5-triazin-2-amine Openeye Name: 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-ethyl-6-(1-piperidyl)-1,3,5-triazin-2-amine CAS Name: N-ethyl-4-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]-6-(1-piperidinyl)-1,3,5-triazin-2-amine IUPAC Name: 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine Traditional Name: [4-[3-(benzylthio)-1,2,4-triazol-1-yl]-6-piperidino-s-triazin-2-yl]-ethyl-amine Formula: C19H24N8S MolecularWeight: 396.51246

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)N2CCCCC2)N3C=NC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=NC(=N1)N2CCCCC2)N3C=NC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C19H24N8S/c1-2-20-16-22-17(26-11-7-4-8-12-26)24-18(23-16)27-14-21-19(25-27)28-13-15-9-5-3-6-10-15/h3,5-6,9-10,14H,2,4,7-8,11-13H2,1H3,(H,20,22,23,24)