2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide

Systemtic Name: 2-(3-azanyl-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide Openeye Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide CAS Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-(1-azepanylsulfonyl)phenyl]propanamide IUPAC Name: 2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide Traditional Name: 2-[3-amino-5-(methylthio)-1,2,4-triazol-4-yl]-N-[4-(azepan-1-ylsulfonyl)phenyl]propionamide Formula: C18H26N6O3S2 MolecularWeight: 438.56744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3C(=NN=C3SC)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2)N3C(=NN=C3SC)N

InChI

InChI=1S/C18H26N6O3S2/c1-13(24-17(19)21-22-18(24)28-2)16(25)20-14-7-9-15(10-8-14)29(26,27)23-11-5-3-4-6-12-23/h7-10,13H,3-6,11-12H2,1-2H3,(H2,19,21)(H,20,25)