3-[3-[(2S)-butan-2-yl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[3-[(2S)-butan-2-yl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-ethyl-3-[(1S)-1-methylpropyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[3-[[(2S)-butan-2-yl]thio]-4-ethyl-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[3-[(2S)-butan-2-yl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-ethyl-3-[[(1S)-1-methylpropyl]thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CC

Isomeric SMILES

CC[C@H](C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CC

InChI

InChI=1S/C16H20N4S/c1-4-11(3)21-16-19-18-15(20(16)5-2)13-10-17-14-9-7-6-8-12(13)14/h6-11,18H,4-5H2,1-3H3/t11-/m0/s1