4-phenyl-3-[(4-propan-2-ylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 4-phenyl-3-[(4-propan-2-ylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[(4-isopropylphenyl)methylsulfanyl]-4-phenyl-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-phenyl-3-[(4-propan-2-ylphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-phenyl-3-[(4-propan-2-ylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[(4-isopropylbenzyl)thio]-4-phenyl-5-(2-thienyl)-1,2,4-triazole Formula: C22H21N3S2 MolecularWeight: 391.55224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H21N3S2/c1-16(2)18-12-10-17(11-13-18)15-27-22-24-23-21(20-9-6-14-26-20)25(22)19-7-4-3-5-8-19/h3-14,16H,15H2,1-2H3