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

Systemtic Name: 3-[4-cyclopropyl-3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-[(2-methoxy-5-methyl-benzyl)thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C22H22N4OS/c1-14-7-10-20(27-2)15(11-14)13-28-22-25-24-21(26(22)16-8-9-16)18-12-23-19-6-4-3-5-17(18)19/h3-7,10-12,16,24H,8-9,13H2,1-2H3