2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(azepan-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(azepan-1-yl)phenyl]ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(azepan-1-yl)phenyl]acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-[4-(1-azepanyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(azepan-1-yl)phenyl]acetamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-[4-(azepan-1-yl)phenyl]acetamide Formula: C16H22N6OS MolecularWeight: 346.45048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3N

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=CN3N

InChI

InChI=1S/C16H22N6OS/c17-22-12-18-20-16(22)24-11-15(23)19-13-5-7-14(8-6-13)21-9-3-1-2-4-10-21/h5-8,12H,1-4,9-11,17H2,(H,19,23)