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

Systemtic Name: 3-[4-(2-methoxyethyl)-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-[4-(2-methoxyethyl)-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole CAS Name: 3-[4-(2-methoxyethyl)-3-[(3-nitrophenyl)methylthio]-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-(2-methoxyethyl)-3-[(3-nitrophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[4-(2-methoxyethyl)-3-[(3-nitrobenzyl)thio]-1H-1,2,4-triazol-5-ylidene]indole Formula: C20H19N5O3S MolecularWeight: 409.46156

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=C2C=NC3=CC=CC=C32)NN=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O3S/c1-28-10-9-24-19(17-12-21-18-8-3-2-7-16(17)18)22-23-20(24)29-13-14-5-4-6-15(11-14)25(26)27/h2-8,11-12,22H,9-10,13H2,1H3