3-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-(2-chloranyl-4-nitro-phenyl)sulfanyl-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 3-(2-chloro-4-nitro-phenyl)sulfanyl-4-methyl-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-4-nitrophenyl)thio]-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 3-(2-chloro-4-nitrophenyl)sulfanyl-4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(2-chloro-4-nitro-phenyl)thio]-4-methyl-5-(2-thenyl)-1,2,4-triazole Formula: C14H11ClN4O2S2 MolecularWeight: 366.84574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SC2=C(C=C(C=C2)[N+](=O)[O-])Cl)CC3=CC=CS3

InChI

InChI=1S/C14H11ClN4O2S2/c1-18-13(8-10-3-2-6-22-10)16-17-14(18)23-12-5-4-9(19(20)21)7-11(12)15/h2-7H,8H2,1H3