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

Systemtic Name: 3-(4-chloranyl-2-nitro-phenyl)sulfanyl-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-(4-chloro-2-nitro-phenyl)sulfanyl-4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-chloro-2-nitrophenyl)thio]-4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-(4-chloro-2-nitrophenyl)sulfanyl-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-chloro-2-nitro-phenyl)thio]-4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazole Formula: C17H15ClN4O3S2 MolecularWeight: 422.909

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C17H15ClN4O3S2/c18-11-5-6-14(13(9-11)22(23)24)27-17-20-19-16(15-4-2-8-26-15)21(17)10-12-3-1-7-25-12/h2,4-6,8-9,12H,1,3,7,10H2