2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-[[4-cyclopropyl-5-(3-indolylidene)-1H-1,2,4-triazol-3-yl]thio]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(4-cyclopropyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)thio]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C26H35N6O2S+ MolecularWeight: 495.6601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)[NH+]6CCOCC6

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2C5CC5)[NH+]6CCOCC6

InChI

InChI=1S/C26H34N6O2S/c33-23(28-18-26(10-4-1-5-11-26)31-12-14-34-15-13-31)17-35-25-30-29-24(32(25)19-8-9-19)21-16-27-22-7-3-2-6-20(21)22/h2-3,6-7,16,19,29H,1,4-5,8-15,17-18H2,(H,28,33)/p+1