3-(4-tert-butylphenyl)-4-(4-propan-2-ylphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-(4-propan-2-ylphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-(4-isopropylphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-(4-propan-2-ylphenyl)-5-(prop-2-ynylthio)-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-(4-propan-2-ylphenyl)-5-prop-2-ynylsulfanyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-p-cumenyl-5-(propargylthio)-1,2,4-triazole Formula: C24H27N3S MolecularWeight: 389.55628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=C2SCC#C)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=C2SCC#C)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H27N3S/c1-7-16-28-23-26-25-22(19-8-12-20(13-9-19)24(4,5)6)27(23)21-14-10-18(11-15-21)17(2)3/h1,8-15,17H,16H2,2-6H3