3-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-allyl-3-[(4-tert-butylphenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-allyl-3-[(4-tert-butylbenzyl)thio]-5-(2-thienyl)-1,2,4-triazole Formula: C20H23N3S2 MolecularWeight: 369.54672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=CS3

InChI

InChI=1S/C20H23N3S2/c1-5-12-23-18(17-7-6-13-24-17)21-22-19(23)25-14-15-8-10-16(11-9-15)20(2,3)4/h5-11,13H,1,12,14H2,2-4H3