1-(3-methyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one

Systemtic Name: 1-(3-methyl-4-naphthalen-1-ylcarbonyl-piperazin-1-yl)-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Openeye Name: 1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[3-methyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazinyl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-butanone IUPAC Name: 1-[3-methyl-4-(naphthalene-1-carbonyl)piperazin-1-yl]-4-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]butan-1-one Traditional Name: 1-[3-methyl-4-(1-naphthoyl)piperazino]-4-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C32H31N5O2S2 MolecularWeight: 581.75084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)CCCSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CS6

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=CC3=CC=CC=C32)C(=O)CCCSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CS6

InChI

InChI=1S/C32H31N5O2S2/c1-23-22-35(18-19-36(23)31(39)27-15-7-11-24-10-5-6-14-26(24)27)29(38)17-9-21-41-32-34-33-30(28-16-8-20-40-28)37(32)25-12-3-2-4-13-25/h2-8,10-16,20,23H,9,17-19,21-22H2,1H3