4-(2-bromanyl-4-methyl-phenyl)-5-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(2-bromanyl-4-methyl-phenyl)-5-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-(2-bromo-4-methyl-phenyl)-5-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-triazole-3-thiolate CAS Name: 4-(2-bromo-4-methylphenyl)-5-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-(2-bromo-4-methylphenyl)-5-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-(2-bromo-4-methyl-phenyl)-5-[(1S,2S)-2-phenylcyclopropyl]-1,2,4-triazole-3-thiolate Formula: C18H15BrN3S- MolecularWeight: 385.3008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=C2[S-])C3CC3C4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=C2[S-])[C@H]3C[C@@H]3C4=CC=CC=C4)Br

InChI

InChI=1S/C18H16BrN3S/c1-11-7-8-16(15(19)9-11)22-17(20-21-18(22)23)14-10-13(14)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3,(H,21,23)/p-1/t13-,14+/m1/s1