3-(2-bromophenyl)-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(2-bromophenyl)-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(2-bromophenyl)-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(2-bromophenyl)-5-[(3-methyl-2-quinoxalinyl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(2-bromophenyl)-5-[(3-methylquinoxalin-2-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(2-bromophenyl)-5-[(3-methylquinoxalin-2-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C18H15BrN6S MolecularWeight: 427.3209

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3N)C4=CC=CC=C4Br

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CSC3=NN=C(N3N)C4=CC=CC=C4Br

InChI

InChI=1S/C18H15BrN6S/c1-11-16(22-15-9-5-4-8-14(15)21-11)10-26-18-24-23-17(25(18)20)12-6-2-3-7-13(12)19/h2-9H,10,20H2,1H3