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

Systemtic Name: 3-cyclopropyl-5-[(3-methoxyphenyl)methylsulfanyl]-4-(phenylmethyl)-1,2,4-triazole Openeye Name: 4-benzyl-3-cyclopropyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclopropyl-5-[(3-methoxyphenyl)methylthio]-4-(phenylmethyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-cyclopropyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-benzyl-3-cyclopropyl-5-(m-anisylthio)-1,2,4-triazole Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3OS/c1-24-18-9-5-8-16(12-18)14-25-20-22-21-19(17-10-11-17)23(20)13-15-6-3-2-4-7-15/h2-9,12,17H,10-11,13-14H2,1H3