2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-chloranyl-naphthalene-1,4-dione

Systemtic Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-chloro-naphthalene-1,4-dione CAS Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-3-chloronaphthalene-1,4-dione IUPAC Name: 2-[[5-(3-bromophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-chloronaphthalene-1,4-dione Traditional Name: 2-[[4-allyl-5-(3-bromophenyl)-1,2,4-triazol-3-yl]thio]-3-chloro-1,4-naphthoquinone Formula: C21H13BrClN3O2S MolecularWeight: 486.76882

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=CC(=CC=C4)Br

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H13BrClN3O2S/c1-2-10-26-20(12-6-5-7-13(22)11-12)24-25-21(26)29-19-16(23)17(27)14-8-3-4-9-15(14)18(19)28/h2-9,11H,1,10H2