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

Systemtic Name: 3-[4-cyclopropyl-3-[(2,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-[(2,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-[(2,5-dimethylphenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-[(2,5-dimethylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-[(2,5-dimethylbenzyl)thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4S/c1-14-7-8-15(2)16(11-14)13-27-22-25-24-21(26(22)17-9-10-17)19-12-23-20-6-4-3-5-18(19)20/h3-8,11-12,17,24H,9-10,13H2,1-2H3