[4-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-morpholin-4-yl-methanone Openeye Name: [4-[(3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-morpholino-methanone CAS Name: [4-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]-(4-morpholinyl)methanone IUPAC Name: [4-[(3-cyclopropyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-[(3-cyclopropyl-4-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazino]-morpholino-methanone Formula: C21H28N6O2S MolecularWeight: 428.55102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C(=O)N5CCOCC5

Isomeric SMILES

C1CC1C2=NN(C(=S)N2C3=CC=CC=C3)CN4CCN(CC4)C(=O)N5CCOCC5

InChI

InChI=1S/C21H28N6O2S/c28-20(25-12-14-29-15-13-25)24-10-8-23(9-11-24)16-26-21(30)27(18-4-2-1-3-5-18)19(22-26)17-6-7-17/h1-5,17H,6-16H2