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

Systemtic Name: 2-(3-azanyl-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide Openeye Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide CAS Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[4-(1-azepanylsulfonyl)phenyl]propanamide IUPAC Name: 2-(3-amino-5-ethylsulfanyl-1,2,4-triazol-4-yl)-N-[4-(azepan-1-ylsulfonyl)phenyl]propanamide Traditional Name: 2-[3-amino-5-(ethylthio)-1,2,4-triazol-4-yl]-N-[4-(azepan-1-ylsulfonyl)phenyl]propionamide Formula: C19H28N6O3S2 MolecularWeight: 452.59402

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(N1C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)N

Isomeric SMILES

CCSC1=NN=C(N1C(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)N

InChI

InChI=1S/C19H28N6O3S2/c1-3-29-19-23-22-18(20)25(19)14(2)17(26)21-15-8-10-16(11-9-15)30(27,28)24-12-6-4-5-7-13-24/h8-11,14H,3-7,12-13H2,1-2H3,(H2,20,22)(H,21,26)