2-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-4,6-dipyrrolidin-1-yl-1,3,5-triazine

Systemtic Name: 2-[3-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]-4,6-dipyrrolidin-1-yl-1,3,5-triazine Openeye Name: 2-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-4,6-dipyrrolidin-1-yl-1,3,5-triazine CAS Name: 2-[3-(phenylmethylthio)-1,2,4-triazol-1-yl]-4,6-bis(1-pyrrolidinyl)-1,3,5-triazine IUPAC Name: 2-(3-benzylsulfanyl-1,2,4-triazol-1-yl)-4,6-dipyrrolidin-1-yl-1,3,5-triazine Traditional Name: 2-[3-(benzylthio)-1,2,4-triazol-1-yl]-4,6-dipyrrolidino-s-triazine Formula: C20H24N8S MolecularWeight: 408.52316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=NC(=N2)N3C=NC(=N3)SCC4=CC=CC=C4)N5CCCC5

Isomeric SMILES

C1CCN(C1)C2=NC(=NC(=N2)N3C=NC(=N3)SCC4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C20H24N8S/c1-2-8-16(9-3-1)14-29-20-21-15-28(25-20)19-23-17(26-10-4-5-11-26)22-18(24-19)27-12-6-7-13-27/h1-3,8-9,15H,4-7,10-14H2