3-[4-cyclopropyl-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[4-cyclopropyl-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-[(2,5-dimethoxyphenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-[(2,5-dimethoxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-[(2,5-dimethoxybenzyl)thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C22H22N4O2S/c1-27-16-9-10-20(28-2)14(11-16)13-29-22-25-24-21(26(22)15-7-8-15)18-12-23-19-6-4-3-5-17(18)19/h3-6,9-12,15,24H,7-8,13H2,1-2H3