3-(3-methylquinoxalin-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(3-methylquinoxalin-2-yl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-amine Openeye Name: 3-benzylsulfanyl-5-(3-methylquinoxalin-2-yl)-1,2,4-triazol-4-amine CAS Name: 3-(3-methyl-2-quinoxalinyl)-5-(phenylmethylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-benzylsulfanyl-5-(3-methylquinoxalin-2-yl)-1,2,4-triazol-4-amine Traditional Name: [3-(benzylthio)-5-(3-methylquinoxalin-2-yl)-1,2,4-triazol-4-yl]amine Formula: C18H16N6S MolecularWeight: 348.42484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C3=NN=C(N3N)SCC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C3=NN=C(N3N)SCC4=CC=CC=C4

InChI

InChI=1S/C18H16N6S/c1-12-16(21-15-10-6-5-9-14(15)20-12)17-22-23-18(24(17)19)25-11-13-7-3-2-4-8-13/h2-10H,11,19H2,1H3