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

Systemtic Name: 3-[4-cyclopropyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-cyclopropyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-cyclopropyl-3-[(4-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-cyclopropyl-3-[(4-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-cyclopropyl-3-[(4-nitrobenzyl)thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1N2C(=C3C=NC4=CC=CC=C43)NN=C2SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O2S/c26-25(27)15-7-5-13(6-8-15)12-28-20-23-22-19(24(20)14-9-10-14)17-11-21-18-4-2-1-3-16(17)18/h1-8,11,14,22H,9-10,12H2