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

Systemtic Name: N-ethyl-4-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine Openeye Name: 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine CAS Name: N-ethyl-4-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]-6-(1-pyrrolidinyl)-1,3,5-triazin-2-amine IUPAC Name: 4-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine Traditional Name: [4-[3-(benzylthio)-1,2,4-triazol-1-yl]-6-pyrrolidino-s-triazin-2-yl]-ethyl-amine Formula: C18H22N8S MolecularWeight: 382.48588

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC(=N1)N2CCCC2)N3C=NC(=N3)SCC4=CC=CC=C4

Isomeric SMILES

CCNC1=NC(=NC(=N1)N2CCCC2)N3C=NC(=N3)SCC4=CC=CC=C4

InChI

InChI=1S/C18H22N8S/c1-2-19-15-21-16(25-10-6-7-11-25)23-17(22-15)26-13-20-18(24-26)27-12-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H,19,21,22,23)