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

Systemtic Name: 3-[4-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-(2-methoxyethyl)-3-(m-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-(2-methoxyethyl)-3-[(3-methylphenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-(2-methoxyethyl)-3-[(3-methylbenzyl)thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2CCOC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2CCOC

InChI

InChI=1S/C21H22N4OS/c1-15-6-5-7-16(12-15)14-27-21-24-23-20(25(21)10-11-26-2)18-13-22-19-9-4-3-8-17(18)19/h3-9,12-13,23H,10-11,14H2,1-2H3