N-(cyclohexylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(cyclohexylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(cyclohexylmethyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(cyclohexylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(cyclohexylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(cyclohexylmethyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3CCCCC3

InChI

InChI=1S/C20H28N4O2S/c1-2-26-17-10-8-16(9-11-17)19-22-23-20(27)24(19)13-12-18(25)21-14-15-6-4-3-5-7-15/h8-11,15H,2-7,12-14H2,1H3,(H,21,25)(H,23,27)