N-tert-butyl-2-[4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-tert-butyl-acetamide CAS Name: N-tert-butyl-2-[4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(3-phenyl-4-prop-2-enyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[(4-allyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]-N-tert-butyl-acetamide Formula: C22H32N6OS MolecularWeight: 428.59408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C

InChI

InChI=1S/C22H32N6OS/c1-5-11-27-20(18-9-7-6-8-10-18)24-28(21(27)30)17-26-14-12-25(13-15-26)16-19(29)23-22(2,3)4/h5-10H,1,11-17H2,2-4H3,(H,23,29)