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

Systemtic Name: 3-[4-cyclopropyl-3-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-(m-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-[(3-methylphenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-[(3-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-[(3-methylbenzyl)thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C21H20N4S MolecularWeight: 360.4753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4S/c1-14-5-4-6-15(11-14)13-26-21-24-23-20(25(21)16-9-10-16)18-12-22-19-8-3-2-7-17(18)19/h2-8,11-12,16,23H,9-10,13H2,1H3