3-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole

Systemtic Name: 3-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-[(2,5-dimethoxybenzyl)thio]-1,2,4-triazole Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H23N3O2S/c1-25-18-10-11-19(26-2)17(12-18)14-27-21-23-22-20(16-8-9-16)24(21)13-15-6-4-3-5-7-15/h3-7,10-12,16H,8-9,13-14H2,1-2H3