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

Systemtic Name: 2-chloranyl-3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]naphthalene-1,4-dione Openeye Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-chloro-naphthalene-1,4-dione CAS Name: 2-chloro-3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]naphthalene-1,4-dione IUPAC Name: 2-chloro-3-[[5-(4-nitrophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]naphthalene-1,4-dione Traditional Name: 2-[[4-allyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]-3-chloro-1,4-naphthoquinone Formula: C21H13ClN4O4S MolecularWeight: 452.87032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN4O4S/c1-2-11-25-20(12-7-9-13(10-8-12)26(29)30)23-24-21(25)31-19-16(22)17(27)14-5-3-4-6-15(14)18(19)28/h2-10H,1,11H2