ethyl 4-[[4-(furan-2-ylmethyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: ethyl 4-[[4-(furan-2-ylmethyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[4-(2-furylmethyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[4-(2-furanylmethyl)-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(furan-2-ylmethyl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[4-(2-furfuryl)-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NNC(=C2C=NC3=CC=CC=C32)N1CC4=CC=CO4

Isomeric SMILES

CCOC(=O)CCCSC1=NNC(=C2C=NC3=CC=CC=C32)N1CC4=CC=CO4

InChI

InChI=1S/C21H22N4O3S/c1-2-27-19(26)10-6-12-29-21-24-23-20(25(21)14-15-7-5-11-28-15)17-13-22-18-9-4-3-8-16(17)18/h3-5,7-9,11,13,23H,2,6,10,12,14H2,1H3