1-(3-methylpiperazin-1-yl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(3-methylpiperazin-1-yl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-(3-methylpiperazin-1-yl)-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-(3-methyl-1-piperazinyl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-(3-methylpiperazin-1-yl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-(3-methylpiperazino)-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC1CN(CCN1)C(=O)CCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H25N5OS2/c1-16-15-25(12-11-22-16)19(27)10-6-14-29-21-24-23-20(18-9-5-13-28-18)26(21)17-7-3-2-4-8-17/h2-5,7-9,13,16,22H,6,10-12,14-15H2,1H3