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

Systemtic Name: 3-[3-[(2S)-butan-2-yl]sulfanyl-4-(2-methoxyethyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-(2-methoxyethyl)-3-[(1S)-1-methylpropyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[3-[[(2S)-butan-2-yl]thio]-4-(2-methoxyethyl)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[3-[(2S)-butan-2-yl]sulfanyl-4-(2-methoxyethyl)-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-(2-methoxyethyl)-3-[[(1S)-1-methylpropyl]thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

Isomeric SMILES

CC[C@H](C)SC1=NNC(=C2C=NC3=CC=CC=C32)N1CCOC

InChI

InChI=1S/C17H22N4OS/c1-4-12(2)23-17-20-19-16(21(17)9-10-22-3)14-11-18-15-8-6-5-7-13(14)15/h5-8,11-12,19H,4,9-10H2,1-3H3/t12-/m0/s1