3-[3-[2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]sulfanyl]ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(4,6-diamino-s-triazin-2-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C16H15N7OS MolecularWeight: 353.4016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CSC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CCC#N)C(=O)CSC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C16H15N7OS/c17-6-3-7-23-8-11(10-4-1-2-5-12(10)23)13(24)9-25-16-21-14(18)20-15(19)22-16/h1-2,4-5,8H,3,7,9H2,(H4,18,19,20,21,22)