2-methyl-2-phenyl-1-[4-[(4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-2-phenyl-1-[4-[(4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[(4-isopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-2-methyl-2-phenyl-propan-1-one CAS Name: 2-methyl-2-phenyl-1-[4-[(4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-2-phenyl-1-[4-[(4-propan-2-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[(4-isopropyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]-2-methyl-2-phenyl-propan-1-one Formula: C20H29N5OS MolecularWeight: 387.54216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)CN2CCN(CC2)C(=O)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C=NN(C1=S)CN2CCN(CC2)C(=O)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C20H29N5OS/c1-16(2)24-14-21-25(19(24)27)15-22-10-12-23(13-11-22)18(26)20(3,4)17-8-6-5-7-9-17/h5-9,14,16H,10-13,15H2,1-4H3