(3R,5S)-3-[(5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-oxolan-2-one

Systemtic Name: (3R,5S)-3-[(5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-oxolan-2-one Openeye Name: (3R,5S)-3-[(5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-methyl-tetrahydrofuran-2-one CAS Name: (3R,5S)-3-[[5-(2-indolylidene)-4-phenyl-1H-1,2,4-triazol-3-yl]thio]-5-methyl-2-oxolanone IUPAC Name: (3R,5S)-3-[(5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-methyloxolan-2-one Traditional Name: (3R,5S)-3-[(5-indol-2-ylidene-4-phenyl-1H-1,2,4-triazol-3-yl)thio]-5-methyl-tetrahydrofuran-2-one Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)SC2=NNC(=C3C=C4C=CC=CC4=N3)N2C5=CC=CC=C5

Isomeric SMILES

C[C@H]1C[C@H](C(=O)O1)SC2=NNC(=C3C=C4C=CC=CC4=N3)N2C5=CC=CC=C5

InChI

InChI=1S/C21H18N4O2S/c1-13-11-18(20(26)27-13)28-21-24-23-19(25(21)15-8-3-2-4-9-15)17-12-14-7-5-6-10-16(14)22-17/h2-10,12-13,18,23H,11H2,1H3/t13-,18+/m0/s1