4-(2-bromanyl-4-methyl-phenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2-bromanyl-4-methyl-phenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-bromo-4-methyl-phenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(2-bromo-4-methylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-bromo-4-methylphenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-bromo-4-methyl-phenyl)-5-(1H-indol-3-ylmethyl)-1,2,4-triazole-3-thiolate Formula: C18H14BrN4S- MolecularWeight: 398.29956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2[S-])CC3=CNC4=CC=CC=C43)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2[S-])CC3=CNC4=CC=CC=C43)Br

InChI

InChI=1S/C18H15BrN4S/c1-11-6-7-16(14(19)8-11)23-17(21-22-18(23)24)9-12-10-20-15-5-3-2-4-13(12)15/h2-8,10,20H,9H2,1H3,(H,22,24)/p-1