1-[3-chloranyl-4-(phenylmethylsulfanyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Systemtic Name: 1-[3-chloranyl-4-(phenylmethylsulfanyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine Openeye Name: 1-(4-benzylsulfanyl-3-chloro-phenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine CAS Name: 1-[3-chloro-4-(phenylmethylthio)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine IUPAC Name: 1-(4-benzylsulfanyl-3-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-1-[4-(benzylthio)-3-chloro-phenyl]-6,6-dimethyl-s-triazin-2-yl]amine Formula: C18H20ClN5S MolecularWeight: 373.9029

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(N=C(N1C2=CC(=C(C=C2)SCC3=CC=CC=C3)Cl)N)N)C

Isomeric SMILES

CC1(N=C(N=C(N1C2=CC(=C(C=C2)SCC3=CC=CC=C3)Cl)N)N)C

InChI

InChI=1S/C18H20ClN5S/c1-18(2)23-16(20)22-17(21)24(18)13-8-9-15(14(19)10-13)25-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H4,20,21,22,23)