3-[3-butylsulfanyl-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[3-butylsulfanyl-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[3-butylsulfanyl-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[3-(butylthio)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[3-butylsulfanyl-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[3-(butylthio)-4-(4-methoxyphenyl)-1H-1,2,4-triazol-5-ylidene]indole Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCSC1=NNC(=C2C=NC3=CC=CC=C32)N1C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H22N4OS/c1-3-4-13-27-21-24-23-20(18-14-22-19-8-6-5-7-17(18)19)25(21)15-9-11-16(26-2)12-10-15/h5-12,14,23H,3-4,13H2,1-2H3