3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-cyclopropyl-4-phenyl-1,2,4-triazole

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-cyclopropyl-4-phenyl-1,2,4-triazole Openeye Name: 3-(2-chloro-4-nitro-phenyl)sulfanyl-5-cyclopropyl-4-phenyl-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-5-cyclopropyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-(2-chloro-4-nitrophenyl)sulfanyl-5-cyclopropyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-nitro-phenyl)thio]-5-cyclopropyl-4-phenyl-1,2,4-triazole Formula: C17H13ClN4O2S MolecularWeight: 372.82872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN4O2S/c18-14-10-13(22(23)24)8-9-15(14)25-17-20-19-16(11-6-7-11)21(17)12-4-2-1-3-5-12/h1-5,8-11H,6-7H2