tert-butyl N-[1-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl]carbamate

Systemtic Name: tert-butyl N-[1-(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl]carbamate Openeye Name: tert-butyl N-[1-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl]carbamate CAS Name: N-[1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl]carbamate Traditional Name: N-[1-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl]carbamic acid tert-butyl ester Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C3=NNC(=S)N3N

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C3=NNC(=S)N3N

InChI

InChI=1S/C17H22N6O2S/c1-17(2,3)25-16(24)20-13(14-21-22-15(26)23(14)18)8-10-9-19-12-7-5-4-6-11(10)12/h4-7,9,13,19H,8,18H2,1-3H3,(H,20,24)(H,22,26)