N-[4-(4-bromophenyl)sulfanylphenyl]-3-(1,2,3-triazol-1-yl)propanamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-(1,2,3-triazol-1-yl)propanamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-(triazol-1-yl)propanamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-3-(1-triazolyl)propanamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-(triazol-1-yl)propanamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-3-(triazol-1-yl)propionamide Formula: C17H15BrN4OS MolecularWeight: 403.2962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCN2C=CN=N2)SC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCN2C=CN=N2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H15BrN4OS/c18-13-1-5-15(6-2-13)24-16-7-3-14(4-8-16)20-17(23)9-11-22-12-10-19-21-22/h1-8,10,12H,9,11H2,(H,20,23)