ethyl N-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]carbamate

Systemtic Name: ethyl N-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]carbamate Openeye Name: ethyl N-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate CAS Name: N-[2-[[4-hexyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-1-oxoethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]carbamate Traditional Name: N-[2-[(4-hexyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]acetyl]carbamic acid ethyl ester Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)NC(=O)OCC

Isomeric SMILES

CCCCCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC(=O)NC(=O)OCC

InChI

InChI=1S/C21H27N5O3S/c1-3-5-6-9-12-26-19(16-13-22-17-11-8-7-10-15(16)17)24-25-20(26)30-14-18(27)23-21(28)29-4-2/h7-8,10-11,13,24H,3-6,9,12,14H2,1-2H3,(H,23,27,28)