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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

CCOC1=CC=CC=C1CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

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