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

Systemtic Name: 3-[3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[3-[(5-chloro-2-methoxyphenyl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[3-[(5-chloro-2-methoxy-benzyl)thio]-4-cyclopropyl-1H-1,2,4-triazol-5-ylidene]indole Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5

InChI

InChI=1S/C21H19ClN4OS/c1-27-19-9-6-14(22)10-13(19)12-28-21-25-24-20(26(21)15-7-8-15)17-11-23-18-5-3-2-4-16(17)18/h2-6,9-11,15,24H,7-8,12H2,1H3