O-ethyl [4-azanyl-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methylsulfanylmethanethioate

Systemtic Name: O-ethyl [4-azanyl-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methylsulfanylmethanethioate Openeye Name: O-ethyl [4-amino-6-(2-naphthylamino)-1,3,5-triazin-2-yl]methylsulfanylmethanethioate CAS Name: [[4-amino-6-(2-naphthalenylamino)-1,3,5-triazin-2-yl]methylthio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methylsulfanylmethanethioate Traditional Name: [[4-amino-6-(2-naphthylamino)-s-triazin-2-yl]methylthio]methanethioic acid O-ethyl ester Formula: C17H17N5OS2 MolecularWeight: 371.47978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC1=NC(=NC(=N1)NC2=CC3=CC=CC=C3C=C2)N

Isomeric SMILES

CCOC(=S)SCC1=NC(=NC(=N1)NC2=CC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C17H17N5OS2/c1-2-23-17(24)25-10-14-20-15(18)22-16(21-14)19-13-8-7-11-5-3-4-6-12(11)9-13/h3-9H,2,10H2,1H3,(H3,18,19,20,21,22)