4-butyl-3-(4-methoxyphenyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazole

Systemtic Name: 4-butyl-3-(4-methoxyphenyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazole Openeye Name: 4-butyl-3-(4-methoxyphenyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazole CAS Name: 4-butyl-3-(4-methoxyphenyl)-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazole IUPAC Name: 4-butyl-3-(4-methoxyphenyl)-5-[(1R)-1-(3-nitrophenyl)ethyl]sulfanyl-1,2,4-triazole Traditional Name: 4-butyl-3-(4-methoxyphenyl)-5-[[(1R)-1-(3-nitrophenyl)ethyl]thio]-1,2,4-triazole Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1S[C@H](C)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O3S/c1-4-5-13-24-20(16-9-11-19(28-3)12-10-16)22-23-21(24)29-15(2)17-7-6-8-18(14-17)25(26)27/h6-12,14-15H,4-5,13H2,1-3H3/t15-/m1/s1