4-azanylbenzenecarbonitrile; 2-bromanyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole

Systemtic Name: 4-azanylbenzenecarbonitrile; 2-bromanyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole Openeye Name: 4-aminobenzonitrile; 2-bromo-5-(1H-1,2,4-triazol-5-ylmethyl)thiazole CAS Name: 4-aminobenzonitrile; 2-bromo-5-(1H-1,2,4-triazol-5-ylmethyl)thiazole IUPAC Name: 4-aminobenzonitrile; 2-bromo-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole Traditional Name: 4-aminobenzonitrile; 2-bromo-5-(1H-1,2,4-triazol-5-ylmethyl)thiazole Formula: C13H11BrN6S MolecularWeight: 363.23564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N.C1=C(SC(=N1)Br)CC2=NC=NN2

Isomeric SMILES

C1=CC(=CC=C1C#N)N.C1=C(SC(=N1)Br)CC2=NC=NN2

InChI

InChI=1S/C7H6N2.C6H5BrN4S/c8-5-6-1-3-7(9)4-2-6;7-6-8-2-4(12-6)1-5-9-3-10-11-5/h1-4H,9H2;2-3H,1H2,(H,9,10,11)