N2-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-N4-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine CAS Name: N2-[2-(ethylthio)-1,3-benzothiazol-6-yl]-N4-phenyl-6-(1-pyrrolidinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-ethylsulfanyl-1,3-benzothiazol-6-yl)-4-N-phenyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine Traditional Name: (4-anilino-6-pyrrolidino-s-triazin-2-yl)-[2-(ethylthio)-1,3-benzothiazol-6-yl]amine Formula: C22H23N7S2 MolecularWeight: 449.59492

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)N5CCCC5

Isomeric SMILES

CCSC1=NC2=C(S1)C=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)N5CCCC5

InChI

InChI=1S/C22H23N7S2/c1-2-30-22-25-17-11-10-16(14-18(17)31-22)24-20-26-19(23-15-8-4-3-5-9-15)27-21(28-20)29-12-6-7-13-29/h3-5,8-11,14H,2,6-7,12-13H2,1H3,(H2,23,24,26,27,28)