2-[(5-bromanyl-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]aniline

Systemtic Name: 2-[(5-bromanyl-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]aniline Openeye Name: 2-[(5-bromo-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]aniline CAS Name: 2-[(5-bromo-2-phenethyl-1,2,4-triazol-3-yl)thio]aniline IUPAC Name: 2-[(5-bromo-2-phenethyl-1,2,4-triazol-3-yl)sulfanyl]aniline Traditional Name: [2-[(5-bromo-2-phenethyl-1,2,4-triazol-3-yl)thio]phenyl]amine Formula: C16H15BrN4S MolecularWeight: 375.2861

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NC(=N2)Br)SC3=CC=CC=C3N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NC(=N2)Br)SC3=CC=CC=C3N

InChI

InChI=1S/C16H15BrN4S/c17-15-19-16(22-14-9-5-4-8-13(14)18)21(20-15)11-10-12-6-2-1-3-7-12/h1-9H,10-11,18H2