2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[4-(4-ethyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-[4-(4-ethylpiperazino)phenyl]acetamide Formula: C19H27N7OS MolecularWeight: 401.52898

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4CC4

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C19H27N7OS/c1-2-24-9-11-25(12-10-24)16-7-5-15(6-8-16)21-17(27)13-28-19-23-22-18(26(19)20)14-3-4-14/h5-8,14H,2-4,9-13,20H2,1H3,(H,21,27)