3-[4-ethyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[4-ethyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-(4-ethyl-3-isopentylsulfanyl-1H-1,2,4-triazol-5-ylidene)indole CAS Name: 3-[4-ethyl-3-(3-methylbutylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-ethyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-ethyl-3-(isoamylthio)-1H-1,2,4-triazol-5-ylidene]indole Formula: C17H22N4S MolecularWeight: 314.44838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCCC(C)C

Isomeric SMILES

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCCC(C)C

InChI

InChI=1S/C17H22N4S/c1-4-21-16(19-20-17(21)22-10-9-12(2)3)14-11-18-15-8-6-5-7-13(14)15/h5-8,11-12,19H,4,9-10H2,1-3H3