2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholinosulfonylphenyl)butanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[4-(4-morpholinylsulfonyl)phenyl]butanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-(4-morpholin-4-ylsulfonylphenyl)butanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-(4-morpholinosulfonylphenyl)butyramide Formula: C18H26N6O4S2 MolecularWeight: 454.56684

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C(=NN=C3SCC)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3C(=NN=C3SCC)N

InChI

InChI=1S/C18H26N6O4S2/c1-3-15(24-17(19)21-22-18(24)29-4-2)16(25)20-13-5-7-14(8-6-13)30(26,27)23-9-11-28-12-10-23/h5-8,15H,3-4,9-12H2,1-2H3,(H2,19,21)(H,20,25)