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

Systemtic Name: 3-[4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-ethyl-3-[(3-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-ethyl-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-ethyl-3-[(3-nitrobenzyl)thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O2S/c1-2-23-18(16-11-20-17-9-4-3-8-15(16)17)21-22-19(23)27-12-13-6-5-7-14(10-13)24(25)26/h3-11,21H,2,12H2,1H3