1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone

Systemtic Name: 1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]-1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NN=C(S3)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NN=C(S3)NCC4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S2/c1-15-11-19(16(2)26(15)13-18-9-6-10-28-18)20(27)14-29-22-25-24-21(30-22)23-12-17-7-4-3-5-8-17/h3-11H,12-14H2,1-2H3,(H,23,24)